SCHEMBL403588

SCHEMBL403588

COc1ccc(Cc2nc3ccc(C(=O)O)cc3c(=O)[nH]2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.53
POLB P06746 1/20 0.53
RNASEH1 O60930 1/20 0.53
CCNC P24863 1/20 0.52
CDK8 P49336 1/20 0.52
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
RECQL P46063 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA7 P43166 1/20 0.48
TPMT P51580 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
MAPK1 P28482 2/20 0.47
TP53 P04637 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
SCHEMBL403796 0.92 PDE5A (0.64) PDE5APOLBRNASEH1CCNCCDK8
SCHEMBL401317 0.85 PDE5A (0.62) PDE5APOLBRNASEH1KDM4EALDH1A1
SCHEMBL402059 0.83 PDE5A (0.61) PDE5AKDM4ERECQLLMNA
SCHEMBL405344 0.83 PDE5A (0.63) PDE5APOLBRNASEH1KDM4EALDH1A1
SCHEMBL405463 0.83 KDM4E (0.58) PDE5AKDM4EALDH1A1HPGDRECQL
SCHEMBL404601 0.83 KDM4E (0.56) PDE5APOLBRNASEH1CCNCCDK8
SCHEMBL398946 0.82 POLB (0.52) PDE5APOLBKDM4EALDH1A1RECQL
SCHEMBL405899 0.81 KDM4E (0.56) PDE5AKDM4EALDH1A1HPGDRECQL
SCHEMBL405533 0.81 PDE5A (0.65) PDE5APOLBRNASEH1KDM4ERECQL
SCHEMBL403310 0.81 PDE5A (0.62) PDE5APOLBRNASEH1KDM4EALDH1A1

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
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
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 PDE5A 14/4885POLB 555/4885RNASEH1 974/4885
US-20090318478-A1 QUINAZOLINE DERIVATIVES PDE9A, PDE3A, PDE5A PDE5A 3/4885POLB 1464/4885RNASEH1 254/4885

“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.