SCHEMBL403922

SCHEMBL403922

COc1ccccc1Cc1nc2cccc(C(=O)O)c2c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
MAPK1 P28482 2/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CCNE2 O96020 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
BRS3 P32247 1/20 0.46
ALDH1A1 P00352 5/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MMP13 P45452 2/20 0.42
CDK9 P50750 1/20 0.42
DYRK1A Q13627 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2C9 P11712 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL405407 0.83 POLB (0.57) POLBMAPK1CCNE2CCNE1CDK2
SCHEMBL403274 0.82 ALOX15 (0.50) POLBMAPK1ALOX15HSD17B10BRS3
SCHEMBL405327 0.81 KMT2A (0.61) POLBALDH1A1KDM4E
SCHEMBL400190 0.79 KDM4C (0.52) CCNE2CCNE1CDK2BRS3MMP13
SCHEMBL13892327 0.78 TNKS2 (0.57) POLBHSD17B10ALDH1A1MAPTSMN1; SMN2
SCHEMBL398946 0.78 POLB (0.52) POLBMAPK1ALOX15HSD17B10ALDH1A1
SCHEMBL4440941 0.77 PARP1 (0.46) POLBMAPK1ALOX15HSD17B10BRS3
SCHEMBL405782 0.77 POLB (0.59) POLBMAPK1ALOX15HSD17B10ALDH1A1
SCHEMBL3491611 0.76 KMT2A (0.56) POLBMAPK1CCNE2CCNE1CDK2
SCHEMBL401595 0.76 MAPT (0.47) POLBCCNE2CCNE1CDK2ALDH1A1

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 7 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
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
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 POLB 555/4885MAPK1 3757/4885ALOX15 1596/4885
US-20090318478-A1 QUINAZOLINE DERIVATIVES PDE9A, PDE3A, PDE5A POLB 1464/4885MAPK1 1648/4885ALOX15 4593/4885

“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.