SCHEMBL400954

SCHEMBL400954

CC(C)(C)Oc1cccc(Cc2nc3cc(C(=O)O)ccc3c(=O)[nH]2)c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.68
KDM4E B2RXH2 4/20 0.55
RECQL P46063 1/20 0.55
KMT2A Q03164 1/20 0.46
POLB P06746 2/20 0.45
MMP13 P45452 2/20 0.43
CSNK2A2 P19784 2/20 0.42
CSNK2A1 P68400 1/20 0.42
CSNK2B P67870 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IDH1 O75874 1/20 0.41
TNKS O95271 1/20 0.40
PARP1 P09874 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
USP2 O75604 1/20 0.39

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
SCHEMBL401645 0.89 PDE5A (0.72) PDE5AKDM4ERECQLKMT2APOLB
SCHEMBL403714 0.87 PDE5A (0.69) PDE5AKDM4ERECQLKMT2APOLB
SCHEMBL402247 0.84 PDE5A (0.78) PDE5AKDM4ERECQLKMT2APOLB
SCHEMBL403481 0.83 PDE5A (0.76) PDE5AKDM4ERECQLKMT2APOLB
SCHEMBL400090 0.83 PDE5A (0.78) PDE5AKDM4ERECQLKMT2APOLB
SCHEMBL402059 0.81 PDE5A (0.61) PDE5AKDM4ERECQLKMT2AMMP13
SCHEMBL401719 0.81 PDE5A (0.76) PDE5AKDM4ERECQLKMT2APOLB
SCHEMBL400983 0.81 PDE5A (0.76) PDE5AKDM4ERECQLKMT2APOLB
SCHEMBL38105 0.81 PDE5A (1.00) PDE5AKDM4ERECQLKMT2APOLB
SCHEMBL406060 0.81 PDE5A (0.72) PDE5AKDM4ERECQLKMT2APOLB

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

“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.