SCHEMBL400190

SCHEMBL400190

COc1cccc(Cc2nc3cccc(C(=O)O)c3c(=O)[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.52
KDM5B Q9UGL1 1/20 0.52
MMP13 P45452 14/20 0.51
CCNB2 O95067 1/20 0.48
CCNE2 O96020 1/20 0.48
CDK1 P06493 1/20 0.48
CDK4 P11802 1/20 0.48
CCNB1 P14635 1/20 0.48
CCND1 P24385 1/20 0.48
CCNE1 P24864 1/20 0.48
CDK2 P24941 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48
BRS3 P32247 1/20 0.48
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47

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 0.86 POLB (0.57) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL405327 0.85 KMT2A (0.61)
SCHEMBL405065 0.83 PDE5A (0.64) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL403970 0.83 KDM4C (0.49) KDM4CKDM5BMMP13BRS3
SCHEMBL402059 0.80 PDE5A (0.61) KDM4CKDM5BMMP13GRIN1GRIN2B
SCHEMBL405399 0.80 RNASEH1 (0.60) KDM5B
SCHEMBL401645 0.80 PDE5A (0.72) KDM4CKDM5BMMP13
SCHEMBL3492382 0.80 KMT2A (0.59) KDM4CCCNB2CCNE2CDK1CDK4
SCHEMBL403922 0.79 POLB (0.49) MMP13CCNE2CCNE1CDK2BRS3
SCHEMBL405713 0.79 ALDH1A1 (0.48) CCNB2CCNE2CDK1CDK4CCNB1

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 KDM4C 4042/4885KDM5B 2650/4885MMP13 378/4885
US-20090318478-A1 QUINAZOLINE DERIVATIVES PDE9A, PDE3A, PDE5A KDM4C 2461/4885KDM5B 1954/4885MMP13 2568/4885

“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.