SCHEMBL37938

SCHEMBL37938

COC(=O)c1ccc2c(=O)[nH]c(Cc3cccc(Cl)c3)nc2c1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.77
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
HSD17B10 Q99714 1/20 0.52
POLB P06746 2/20 0.49
RECQL P46063 1/20 0.48
PDE9A O76083 1/20 0.46
PDE1A P54750 1/20 0.46
PDE1B Q01064 1/20 0.46
PDE1C Q14123 1/20 0.46
RNASEH1 O60930 1/20 0.46
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44

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
SCHEMBL399659 0.88 PDE5A (0.59) PDE5AKDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL38105 0.87 PDE5A (1.00) PDE5AKDM4EALDH1A1KMT2AMEN1
SCHEMBL402452 0.86 PDE5A (0.57) PDE5AKDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL45674 0.84 PDE5A (0.71) PDE5AKDM4EALDH1A1KMT2APOLB
SCHEMBL400571 0.83 ALDH1A1 (0.56) PDE5AKDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL404601 0.82 KDM4E (0.56) PDE5AKDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL31483754 0.81 KDM4E (0.72) PDE5AKDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL2118620 0.81 KDM4E (0.72) PDE5AKDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL17888986 0.80 PDE5A (0.72) PDE5AKDM4EALDH1A1RAB9AKMT2A
SCHEMBL401291 0.79 PDE5A (0.85) PDE5AKDM4EALDH1A1KMT2AMEN1

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 8 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
WO-2012004900-A1 THIENOPYRIMIDINE COMPOUNDS ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 WO 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 4291/4885ALDH1A1 762/4885
US-20090318478-A1 QUINAZOLINE DERIVATIVES PDE9A, PDE3A, PDE5A PDE5A 3/4885KDM4E 2869/4885ALDH1A1 235/4885

“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.