SCHEMBL4826129

SCHEMBL4826129

CCc1nc(Cc2ccc(NC(=O)/C=C/c3cnn(C)c3-c3ccc(F)cc3)cc2)no1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNC P24863 11/20 0.43
CDK8 P49336 11/20 0.43
CDK19 Q9BWU1 2/20 0.43
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
HPSE Q9Y251 2/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL4826141 1.00 CCNC (0.43) CCNCCDK8CDK19MEN1KMT2A
SCHEMBL4825797 0.90 CCNC (0.42) CCNCCDK8CDK19MEN1KMT2A
SCHEMBL4825773 0.90 CCNC (0.42) CCNCCDK8CDK19MEN1KMT2A
SCHEMBL4834252 0.85 CCNC (0.46) CCNCCDK8CDK19MEN1KMT2A
SCHEMBL4834240 0.85 CCNC (0.46) CCNCCDK8CDK19MEN1KMT2A
SCHEMBL4836336 0.84 CCNC (0.45) CCNCCDK8CDK19MEN1KMT2A
SCHEMBL4836330 0.84 CCNC (0.45) CCNCCDK8CDK19MEN1KMT2A
SCHEMBL4831386 0.82 EGFR (0.48) CCNCCDK8CDK19HPSETDP1
SCHEMBL4831378 0.82 EGFR (0.48) CCNCCDK8CDK19HPSETDP1
SCHEMBL4834127 0.82 CCNC (0.46) CCNCCDK8CDK19HPSELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 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 (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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 CCNC 2548/4885CDK8 2963/4885CDK19 2585/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 CCNC 2548/4885CDK8 2963/4885CDK19 2585/4885

“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.