SCHEMBL5582142

SCHEMBL5582142

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 5/20 0.42
CDK8 P49336 5/20 0.42
DHFR P00374 1/20 0.40
ADORA1 P30542 2/20 0.39
ADORA2A P29274 1/20 0.39
HSD17B1 P14061 2/20 0.38
HSD17B2 P37059 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 2/20 0.38
CDK19 Q9BWU1 1/20 0.38
DPP4 P27487 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
FYN P06241 1/20 0.35
ALOX5 P09917 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
SCHEMBL5582145 1.00 CCNC (0.42) CCNCCDK8DHFRADORA1ADORA2A
SCHEMBL5582264 0.90 CCNC (0.42) CCNCCDK8ADORA1HSD17B1HSD17B2
SCHEMBL5582261 0.90 CCNC (0.42) CCNCCDK8ADORA1HSD17B1HSD17B2
SCHEMBL5581757 0.89 ADORA1 (0.43) DHFRADORA1ADORA2AFYN
SCHEMBL5581762 0.89 ADORA1 (0.43) DHFRADORA1ADORA2AFYN
SCHEMBL5582074 0.88 CCNC (0.41) CCNCCDK8ADORA1HSD17B1HSD17B2
SCHEMBL5582080 0.88 CCNC (0.41) CCNCCDK8ADORA1HSD17B1HSD17B2
SCHEMBL5582301 0.86 ALDH1A1 (0.45) CCNCCDK8HSD17B1HSD17B2CYP1A2
SCHEMBL5582300 0.86 ALDH1A1 (0.45) CCNCCDK8HSD17B1HSD17B2CYP1A2
SCHEMBL5582263 0.79 ALDH1A1 (0.38) CCNCCDK8ADORA1MAPTALDH1A1

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 2250/4885DHFR 1735/4885

“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.