SCHEMBL403749

SCHEMBL403749

O=C(O)c1ccc2nc(Cc3cccs3)[nH]c(=O)c2c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.67
▸ RECQL P46063 1/20 0.51
▸ PDE5A O76074 1/20 0.51
▸ LMNA P02545 3/20 0.49
▸ TSHR P16473 2/20 0.49
▸ POLB P06746 4/20 0.47
▸ PKM P14618 1/20 0.47
▸ PARP1 P09874 1/20 0.46
▸ WNT3A P56704 1/20 0.46
▸ TNKS2 Q9H2K2 1/20 0.46
▸ PNP P00491 1/20 0.46
▸ HTT P42858 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL406004 0.92 KDM4E (0.70) KDM4ESMN1; SMN2RECQLPDE5ALMNA
SCHEMBL18433268 0.83 TSHR (0.61) KDM4ESMN1; SMN2RECQLPDE5ALMNA
SCHEMBL399980 0.81 KDM4E (0.61) KDM4ESMN1; SMN2RECQLPDE5ALMNA
SCHEMBL405533 0.81 PDE5A (0.65) KDM4ERECQLPDE5ATSHRPOLB
SCHEMBL401612 0.80 KDM4E (0.59) KDM4ESMN1; SMN2RECQLPDE5ALMNA
SCHEMBL400432 0.79 KDM4E (0.61) KDM4ESMN1; SMN2RECQLPDE5ALMNA
SCHEMBL3491443 0.78 PDE5A (0.63) KDM4ESMN1; SMN2PDE5ALMNATSHR
SCHEMBL38116 0.78 PDE5A (0.63) KDM4ESMN1; SMN2PDE5ALMNATSHR
SCHEMBL17888981 0.77 KDM4E (0.65) KDM4ESMN1; SMN2RECQLPDE5ALMNA
SCHEMBL404756 0.76 KDM4E (0.64) KDM4ESMN1; SMN2LMNATSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050739-B1 QUINAZOLINE DERIVATIVE ASKA PHARM CO LTD (JP) 2016-07-06 — — EP disclosed
CN-101501007-B Quinazoline derivative ASKA PARMACEUTICAL CO LTD 2014-01-29 — — CN disclosed
US-8101624-B2 Quinazoline derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-01-24 — — US disclosed
US-20100113484-A1 TREATING AGENT OF UROPATHY ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-05-06 — — US disclosed
US-20090318478-A1 QUINAZOLINE DERIVATIVES ASKA PHARMACEUTICAL CO., LTD. 2009-12-24 — — US disclosed
EP-2123301-A1 THERAPEUTIC AGENT FOR URINARY TRACT DISEASE ASKA Pharmaceutical Co., Ltd. (JP) 2009-11-25 — — EP disclosed
CN-101557826-A Therapeutic agent for urinary tract disease ASKA PHARM CO LTD (JP) 2009-10-14 — — CN disclosed
CN-101501007-A Quinazoline derivative ASKA PARMACEUTICAL CO LTD (JP) 2009-08-05 — — CN disclosed
EP-2050739-A1 QUINAZOLINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2009-04-22 — — 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-20100113484-A1 TREATING AGENT OF UROPATHY BPHL, PDE12, UROD KDM4E 4291/4885SMN1; SMN2 3450/4885RECQL 878/4885
US-20090318478-A1 QUINAZOLINE DERIVATIVES PDE9A, PDE3A, PDE5A KDM4E 2869/4885SMN1; SMN2 3905/4885RECQL 100/4885

“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.

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