SCHEMBL403865

SCHEMBL403865

COC(=O)c1ccc2c(=O)n(C)c(Cc3cccc(Cl)c3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.48
PDE5A O76074 1/20 0.48
DRD2 P14416 1/20 0.45
TBXA2R P21731 1/20 0.45
CYP3A4 P08684 2/20 0.44
TLR7 Q9NYK1 1/20 0.44
ROCK2 O75116 1/20 0.44
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
MAPK10 P53779 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
IDH1 O75874 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 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
SCHEMBL404057 0.89 PDE5A (0.61) PDE5ACYP3A4ROCK2CSNK2A2CSNK2B
SCHEMBL37938 0.78 PDE5A (0.77) ALDH1A1HSD17B10KDM4EPDE5ASMN1; SMN2
SCHEMBL2117475 0.78 ALDH1A1 (0.54) ALDH1A1HSD17B10KDM4ETSHRCSNK2A2
SCHEMBL31542083 0.77 POLB (0.56) ALDH1A1KDM4ETSHRDRD2TBXA2R
SCHEMBL2117975 0.74 DRD2 (0.57) DRD2TBXA2RCYP3A4SMN1; SMN2KMT2A
SCHEMBL2118762 0.74 ALDH1A1 (0.55) ALDH1A1HSD17B10KDM4ETSHRTLR7
SCHEMBL2118602 0.73 ALDH1A1 (0.55) ALDH1A1HSD17B10KDM4ETSHRDRD2
SCHEMBL6301370 0.73 NPC1 (0.45) ALDH1A1CYP3A4SMN1; SMN2LMNAMAPT
SCHEMBL401474 0.72 MBOAT4 (0.46) KDM4ETSHRPDE5ACYP3A4CSNK2A2
SCHEMBL8993207 0.72 PTGER4 (0.55) DRD2TBXA2RHDAC1

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 5 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-20090318478-A1 QUINAZOLINE DERIVATIVES ASKA PHARMACEUTICAL CO., LTD. 2009-12-24 US 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 (1 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-20090318478-A1 QUINAZOLINE DERIVATIVES PDE9A, PDE3A, PDE5A ALDH1A1 235/4885HSD17B10 989/4885KDM4E 2869/4885

“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.