SCHEMBL403274

SCHEMBL403274

COc1ccccc1Cc1nc2c(C(=O)O)cccc2c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 1/20 0.49
PARP2 Q9UGN5 2/20 0.48
TNKS O95271 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
TDP1 Q9NUW8 3/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP2C9 P11712 1/20 0.46
HIF1A Q16665 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AR P10275 1/20 0.46
BRS3 P32247 1/20 0.46
KDM4E B2RXH2 1/20 0.45
PARP1 P09874 1/20 0.44
PDE10A Q9Y233 1/20 0.44

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
SCHEMBL403861 0.83 RNASEH1 (0.51) MAPK1POLBPARP2ALDH1A1TDP1
SCHEMBL403922 0.82 POLB (0.49) ALOX15MAPK1HSD17B10POLBALDH1A1
SCHEMBL405606 0.81 KMT2A (0.61) POLBPARP2MAPTPARP1
SCHEMBL403970 0.79 KDM4C (0.49) PARP2BRS3PARP1HCAR2
SCHEMBL1554926 0.78 PDE4A (0.46) HSD17B10ALDH1A1LMNACYP2C9HIF1A
SCHEMBL398946 0.78 POLB (0.52) ALOX15MAPK1HSD17B10POLBPARP2
Hydrochloric Acid SCHEMBL2524469 0.77 PDE4A (0.46) HSD17B10ALDH1A1LMNACYP2C9HIF1A
SCHEMBL405782 0.77 POLB (0.59) ALOX15MAPK1HSD17B10POLBPARP2
SCHEMBL405885 0.76 MAPT (0.47) POLBPARP2ALDH1A1LMNATDP1
SCHEMBL402347 0.74 KDM4E (0.64) MAPK1POLBPARP2TNKS2LMNA

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 ALOX15 1596/4885MAPK1 3757/4885HSD17B10 1240/4885
US-20090318478-A1 QUINAZOLINE DERIVATIVES PDE9A, PDE3A, PDE5A ALOX15 4593/4885MAPK1 1648/4885HSD17B10 989/4885

“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.