SCHEMBL401317

SCHEMBL401317

COc1ccc(Cc2nc3cc(C(=O)O)ccc3c(=O)[nH]2)cc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.62
KDM4E B2RXH2 5/20 0.58
RECQL P46063 1/20 0.58
RNASEH1 O60930 1/20 0.51
POLB P06746 2/20 0.45
ALDH1A1 P00352 4/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CCNB2 O95067 1/20 0.44
CCNE2 O96020 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 3/20 0.42
USP2 O75604 1/20 0.42

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 0.93 PDE5A (0.64) PDE5AKDM4ERECQLRNASEH1POLB
SCHEMBL404142 0.88 PDE5A (0.69) PDE5AKDM4ERECQLRNASEH1POLB
SCHEMBL405344 0.88 PDE5A (0.63) PDE5AKDM4ERECQLRNASEH1POLB
SCHEMBL403999 0.86 PDE5A (0.63) PDE5AKDM4ERECQLPOLBALDH1A1
SCHEMBL403045 0.85 PDE5A (0.71) PDE5AKDM4ERECQLRNASEH1POLB
SCHEMBL403588 0.85 PDE5A (0.53) PDE5AKDM4ERECQLRNASEH1POLB
SCHEMBL403375 0.85 PDE5A (0.68) PDE5AKDM4ERECQLPOLBALDH1A1
SCHEMBL400804 0.83 PDE5A (0.68) PDE5AKDM4ERECQLPOLBALDH1A1
SCHEMBL405463 0.83 KDM4E (0.58) PDE5AKDM4ERECQLALDH1A1RAB9A
SCHEMBL404601 0.83 KDM4E (0.56) PDE5AKDM4ERECQLRNASEH1POLB

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 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.