SCHEMBL400477

SCHEMBL400477

O=C(O)c1ccc2c(=O)[nH]c(CCCc3cccnc3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
RECQL P46063 1/20 0.58
PDE5A O76074 1/20 0.57
ALDH1A1 P00352 1/20 0.50
CSNK2A1 P68400 5/20 0.48
CSNK2A2 P19784 3/20 0.48
CSNK2B P67870 3/20 0.48
PARP1 P09874 4/20 0.45
PARP2 Q9UGN5 2/20 0.45
TNKS O95271 1/20 0.45
HCAR2 Q8TDS4 4/20 0.45
TBXAS1 P24557 1/20 0.43
NAMPT P43490 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL405613 0.94 KDM4E (0.60) KDM4ERECQLPDE5AALDH1A1CSNK2A1
SCHEMBL404924 0.89 KDM4E (0.65) KDM4ERECQLPDE5AALDH1A1CSNK2A1
SCHEMBL406541 0.88 PDE5A (0.69) KDM4ERECQLPDE5AALDH1A1CSNK2A1
SCHEMBL403178 0.83 PDE5A (0.78) KDM4ERECQLPDE5AALDH1A1CSNK2A1
SCHEMBL439184 0.82 KDM4E (0.68) KDM4ERECQLPDE5AALDH1A1PARP1
SCHEMBL404509 0.81 PDE5A (0.57) KDM4ERECQLPDE5AALDH1A1CSNK2A1
SCHEMBL405915 0.80 PDE5A (0.58) KDM4ERECQLPDE5AALDH1A1CSNK2A1
SCHEMBL403265 0.80 KDM4E (0.59) KDM4ERECQLPDE5ACSNK2A1PARP1
SCHEMBL400090 0.78 PDE5A (0.78) KDM4ERECQLPDE5APARP1PARP2
SCHEMBL401612 0.77 KDM4E (0.59) KDM4ERECQLPDE5APARP1PARP2

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 6 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
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 4291/4885RECQL 878/4885PDE5A 14/4885
US-20090318478-A1 QUINAZOLINE DERIVATIVES PDE9A, PDE3A, PDE5A KDM4E 2869/4885RECQL 100/4885PDE5A 3/4885

“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.