SCHEMBL5582006

SCHEMBL5582006

CCOC(=O)/C=C/c1cc(-c2cccc(C#N)c2)c2cnc(N(C)C)nc2c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 5/20 0.41
CDK8 P49336 5/20 0.41
CYP1A2 P05177 5/20 0.39
CASP1 P29466 3/20 0.39
CASP7 P55210 3/20 0.39
CYP2D6 P10635 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.38
NLRP3 Q96P20 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP2C9 P11712 2/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 3/20 0.36
CYP2C19 P33261 2/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
CDK19 Q9BWU1 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL5582008 1.00 CCNC (0.41) CCNCCDK8CYP1A2CASP1CASP7
SCHEMBL5582044 0.90 CYP1A2 (0.41) CYP1A2CASP1CASP7CYP2D6MEN1
SCHEMBL5582046 0.90 CYP1A2 (0.41) CYP1A2CASP1CASP7CYP2D6MEN1
SCHEMBL5582264 0.88 CCNC (0.42) CCNCCDK8CYP1A2CYP2D6ALDH1A1
SCHEMBL5582261 0.88 CCNC (0.42) CCNCCDK8CYP1A2CYP2D6ALDH1A1
SCHEMBL5582132 0.78 CYP1A2 (0.43) CYP1A2CASP1CASP7CYP2D6MEN1
SCHEMBL5582145 0.77 CCNC (0.42) CCNCCDK8CYP1A2CYP2D6ALDH1A1
SCHEMBL5582142 0.77 CCNC (0.42) CCNCCDK8CYP1A2CYP2D6ALDH1A1
SCHEMBL5582048 0.77 CYP1A2 (0.41) CYP1A2CASP1CASP7CYP2D6MEN1
SCHEMBL5582260 0.77 PDE4A (0.45) CYP1A2CASP1CASP7CYP2D6MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225308-A1 2-Amino Quinazoline Derivative KYOWA HAKKO KOGYO CO.,LTD. (JP) 2007-09-27 US disclosed
EP-1726584-A1 2-AMINOQUINAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-11-29 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-20070225308-A1 2-Amino Quinazoline Derivative AGTR2, ABL1, AGTR1 CCNC 3850/4885CDK8 2250/4885CYP1A2 55/4885

“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.