SCHEMBL403970

SCHEMBL403970

COc1cccc(Cc2nc3c(C(=O)O)cccc3c(=O)[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.49
KDM5B Q9UGL1 1/20 0.49
BRS3 P32247 1/20 0.48
MMP13 P45452 7/20 0.48
APEX1 P27695 1/20 0.47
HCAR2 Q8TDS4 1/20 0.46
RAB9A P51151 1/20 0.46
PARP1 P09874 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
ALPL P05186 2/20 0.45
PDE5A O76074 2/20 0.45

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 0.86 RNASEH1 (0.51) APEX1PARP1PARP2
SCHEMBL405606 0.85 KMT2A (0.61) PARP1PARP2PDE5A
SCHEMBL401142 0.83 PDE5A (0.64) BRS3HCAR2PARP1PARP2PDE5A
SCHEMBL400190 0.83 KDM4C (0.52) KDM4CKDM5BBRS3MMP13
SCHEMBL402059 0.80 PDE5A (0.61) KDM4CKDM5BMMP13PDE5A
SCHEMBL404377 0.80 RNASEH1 (0.60) KDM5BAPEX1PARP1PARP2PDE5A
SCHEMBL401645 0.80 PDE5A (0.72) KDM4CKDM5BMMP13PDE5A
SCHEMBL403274 0.79 ALOX15 (0.50) BRS3HCAR2PARP1PARP2
SCHEMBL403048 0.79 ALDH1A1 (0.48) PARP1PARP2PDE5A
SCHEMBL17888978 0.77 MMP13 (0.58) MMP13PDE5A

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 2650/4885BRS3 3332/4885
US-20090318478-A1 QUINAZOLINE DERIVATIVES PDE9A, PDE3A, PDE5A KDM4C 2461/4885KDM5B 1954/4885BRS3 806/4885

“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.