SCHEMBL1733657

SCHEMBL1733657

CCCCOc1ccc(Cc2nnc(-c3cccnc3N)o2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RAB9A P51151 7/20 0.44
NPC1 O15118 5/20 0.44
HPGD P15428 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 4/20 0.43
HSD17B10 Q99714 4/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.39
DHFR P00374 1/20 0.39
APLNR P35414 1/20 0.38
CYP2D6 P10635 2/20 0.38
CYP19A1 P11511 2/20 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
SCHEMBL7603753 0.84 RAB9A (0.50) TDP1L3MBTL1RAB9ANPC1HPGD
SCHEMBL7606886 0.82 L3MBTL1 (0.46) TDP1L3MBTL1RAB9ANPC1HPGD
SCHEMBL1733770 0.81 HPGD (0.47) TDP1L3MBTL1RAB9ANPC1HPGD
SCHEMBL12395272 0.78 MAPT (0.44) TDP1L3MBTL1RAB9ANPC1HPGD
SCHEMBL12369671 0.77 LRRK2 (0.46) TDP1L3MBTL1RAB9ANPC1HPGD
SCHEMBL624458 0.75 CYP2D6 (0.56) RAB9ANPC1HPGDSMN1; SMN2TSHR
SCHEMBL510546 0.74 PKM (0.43) TDP1L3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL28804469 0.69 RAB9A (0.53) L3MBTL1RAB9ANPC1HPGDSMN1; SMN2
SCHEMBL6328186 0.69 RAB9A (0.67) L3MBTL1RAB9ANPC1HPGDSMN1; SMN2
SCHEMBL7604839 0.68 RAB9A (0.47) TDP1L3MBTL1RAB9ANPC1HPGD

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183264-B2 Pyridine derivative substituted by heteroaryl ring, and antifungal agent comprising the same Eisai R&D Managment Co., Ltd. (JP) 2012-05-22 US disclosed
US-8183264-B2 Pyridine derivative substituted by heteroaryl ring, and antifungal agent comprising the same Eisai R&D Managment Co., Ltd. (JP) 2012-05-22 US disclosed
US-8183264-B2 Pyridine derivative substituted by heteroaryl ring, and antifungal agent comprising the same Eisai R&D Managment Co., Ltd. (JP) 2012-05-22 US disclosed
EP-2065377-B1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
EP-2065377-B1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
WO-2011051198-A2 PYRIDINE DERIVATIVES AS AGRICULTURAL PESTICIDES BAYER CROPSCIENCE AG (DE) 2011-05-05 WO disclosed
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-22 US disclosed
EP-2065377-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME Eisai R&D Management Co., Ltd. (JP) 2009-06-03 EP disclosed
EP-2065377-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME Eisai R&D Management Co., Ltd. (JP) 2009-06-03 EP 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 (2 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-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 TDP1 3862/4885L3MBTL1 779/4885RAB9A 164/4885
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME ERG28, CBR3, CBR1 TDP1 4752/4885L3MBTL1 2681/4885RAB9A 1677/4885

“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.