SCHEMBL509754

SCHEMBL509754

O=Cc1ccc(Oc2ccccc2F)nc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
L3MBTL1 Q9Y468 5/20 0.63
KMT2A Q03164 4/20 0.60
MEN1 O00255 2/20 0.60
KDM4E B2RXH2 1/20 0.51
POLB P06746 2/20 0.50
MAP4K4 O95819 1/20 0.42
HSPB1 P04792 1/20 0.42
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CXCL8 P10145 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL876029 0.85 ALDH1A1 (0.64) ALDH1A1L3MBTL1KMT2AMEN1KDM4E
SCHEMBL21902136 0.85 ALDH1A1 (0.64) ALDH1A1L3MBTL1KMT2AMEN1KDM4E
SCHEMBL21903979 0.83 ALDH1A1 (0.60) ALDH1A1L3MBTL1KMT2AMEN1KDM4E
SCHEMBL16838766 0.81 KDM4E (0.59) ALDH1A1L3MBTL1KMT2AMEN1KDM4E
SCHEMBL21902104 0.81 KMT2A (0.56) ALDH1A1L3MBTL1KMT2AMEN1KDM4E
SCHEMBL21902997 0.81 ALDH1A1 (0.46) ALDH1A1L3MBTL1KMT2AMEN1KDM4E
SCHEMBL21902092 0.80 KDM4E (0.61) ALDH1A1L3MBTL1KMT2AMEN1KDM4E
SCHEMBL21902703 0.80 ALDH1A1 (0.54) ALDH1A1L3MBTL1KDM4EPOLBHSPB1
SCHEMBL510782 0.78 ALDH1A1 (1.00) ALDH1A1L3MBTL1KMT2AMEN1KDM4E
SCHEMBL510519 0.77 ALDH1A1 (0.71) ALDH1A1L3MBTL1KMT2AKDM4EPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11155539-B2 4-pyridinylmethyl-morpholine derivatives and the use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-10-26 US disclosed
WO-2020079042-A1 4-PYRIDINYLMETHYL-MORPHOLINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-04-23 WO disclosed
US-20200123141-A1 4-Pyridinylmethyl-Morpholine Derivatives and the use thereof as Medicament BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-04-23 US disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 US disclosed
US-8841327-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-09-23 US disclosed
US-8841327-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-09-23 US disclosed
US-8841327-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-09-23 US disclosed
US-7691882-B2 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-06 US disclosed
US-7691882-B2 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-06 US disclosed
EP-2141171-A1 PYRIDINE DERIVATIVE SUBSTITUTED WITH HETEROCYCLE AND PHOSPHONOAMINO AND ANTIFUNGAL AGENT CONTAINING THE SAME Eisai R&D Management Co., Ltd. (JP) 2010-01-06 EP disclosed
US-20090082403-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-03-26 US disclosed
US-20090082403-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-03-26 US disclosed
US-20090082403-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-03-26 US disclosed
EP-1944303-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROCYCLE AND FUNGICIDE CONTAINING THE SAME Eisai R&D Management Co., Ltd. (JP) 2008-07-16 EP disclosed
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11155539-B2 4-pyridinylmethyl-morpholine derivatives and the use thereof as medicament GRIN2A, GRIN2C, GRIN3A ALDH1A1 1678/4885L3MBTL1 4788/4885KMT2A 574/4885
US-20090082403-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME ERG28, H1-2, H1-3 ALDH1A1 3642/4885L3MBTL1 1614/4885KMT2A 1934/4885
US-20200123141-A1 4-Pyridinylmethyl-Morpholine Derivatives and the use thereof as Medicament GRIN2A, GRIN2C, GRIN3A ALDH1A1 1678/4885L3MBTL1 4788/4885KMT2A 574/4885
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 ALDH1A1 2293/4885L3MBTL1 3915/4885KMT2A 64/4885
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells GPI, ERG28, MAN2A1 ALDH1A1 3327/4885L3MBTL1 926/4885KMT2A 2071/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.