SCHEMBL3486740

SCHEMBL3486740

Cn1ncc(/C=C/C(=O)Nc2ccc(COP(=O)(O)O)cc2)c1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNC P24863 7/20 0.42
CDK8 P49336 7/20 0.42
CDK19 Q9BWU1 2/20 0.42
MMP1 P03956 4/20 0.39
MMP2 P08253 4/20 0.39
MMP9 P14780 4/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SNCA P37840 1/20 0.38
EGFR P00533 1/20 0.38
GRM5 P41594 1/20 0.38
NAMPT P43490 1/20 0.37
LRRK2 Q5S007 1/20 0.37
GFER P55789 1/20 0.37
HPSE Q9Y251 1/20 0.37

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
SCHEMBL3486742 1.00 CCNC (0.42) CCNCCDK8CDK19MMP1MMP2
SCHEMBL4831228 0.89 CCNC (0.45) CCNCCDK8CDK19MMP1MMP2
SCHEMBL4831246 0.89 CCNC (0.45) CCNCCDK8CDK19MMP1MMP2
SCHEMBL4834355 0.88 CCNC (0.44) CCNCCDK8CDK19MMP1MMP2
SCHEMBL4831155 0.88 CCNC (0.44) CCNCCDK8CDK19MMP1MMP2
SCHEMBL4831171 0.88 CCNC (0.44) CCNCCDK8CDK19MMP1MMP2
SCHEMBL29208306 0.87 CCNC (0.42) CCNCCDK8CDK19MMP1MMP2
SCHEMBL6434499 0.87 CCNC (0.42) CCNCCDK8CDK19MMP1MMP2
SCHEMBL6434504 0.87 CCNC (0.42) CCNCCDK8CDK19MMP1MMP2
SCHEMBL6432602 0.86 CCNC (0.39) CCNCCDK8CDK19MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029724-A1 SCREENING METHOD TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-02-04 US 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-20100029724-A1 SCREENING METHOD NR2C2, NCOR2, NCOA2 CCNC 3143/4885CDK8 2999/4885CDK19 2093/4885

“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.