SCHEMBL400992

SCHEMBL400992

CCOc1ccc(Cc2nc3cc(C(=O)O)ccc3c(=O)[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.61
KDM4E B2RXH2 3/20 0.59
RECQL P46063 1/20 0.59
POLB P06746 2/20 0.53
KMT2A Q03164 2/20 0.47
PKM P14618 2/20 0.46
GUSB P08236 1/20 0.46
CNR2 P34972 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.43
PTPN5 P54829 1/20 0.43
PLA2G4B P0C869 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
SCHEMBL403999 0.89 PDE5A (0.63) PDE5AKDM4ERECQLPOLBKMT2A
SCHEMBL403714 0.89 PDE5A (0.69) PDE5AKDM4ERECQLPOLBKMT2A
SCHEMBL400804 0.86 PDE5A (0.68) PDE5AKDM4ERECQLPOLBKMT2A
SCHEMBL400090 0.84 PDE5A (0.78) PDE5AKDM4ERECQLPOLBKMT2A
SCHEMBL401995 0.83 PDE5A (0.67) PDE5AKDM4ERECQLPOLBKMT2A
SCHEMBL404136 0.83 PDE5A (0.77) PDE5AKDM4ERECQLPOLBKMT2A
SCHEMBL403830 0.83 PDE5A (0.67) PDE5AKDM4ERECQLPOLBKMT2A
SCHEMBL404142 0.82 PDE5A (0.69) PDE5AKDM4ERECQLPOLBKMT2A
SCHEMBL405691 0.82 PDE5A (0.68) PDE5AKDM4ERECQLPOLBKMT2A
SCHEMBL403263 0.81 POLB (0.57) PDE5AKDM4ERECQLPOLBKMT2A

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.