SCHEMBL4836336

SCHEMBL4836336

CCc1coc(Cc2ccc(NC(=O)C=Cc3cnn(C)c3-c3ccc(F)cc3)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNC P24863 12/20 0.45
CDK8 P49336 12/20 0.45
CDK19 Q9BWU1 2/20 0.45
HPSE Q9Y251 2/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MCHR1 Q99705 1/20 0.36
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 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
SCHEMBL4836330 1.00 CCNC (0.45) CCNCCDK8CDK19HPSENPC1
SCHEMBL4836986 0.91 CCNC (0.46) CCNCCDK8CDK19HPSENPC1
SCHEMBL4836996 0.91 CCNC (0.46) CCNCCDK8CDK19HPSENPC1
SCHEMBL4834240 0.86 CCNC (0.46) CCNCCDK8CDK19HPSENPC1
SCHEMBL4834252 0.86 CCNC (0.46) CCNCCDK8CDK19HPSENPC1
SCHEMBL4826674 0.84 CCNC (0.61) CCNCCDK8CDK19HPSENPC1
SCHEMBL4826684 0.84 CCNC (0.61) CCNCCDK8CDK19HPSENPC1
SCHEMBL4826141 0.84 CCNC (0.43) CCNCCDK8CDK19HPSETDP1
SCHEMBL4834791 0.84 MAPT (0.42) CCNCCDK8CDK19HPSENPC1
SCHEMBL4826129 0.84 CCNC (0.43) CCNCCDK8CDK19HPSETDP1

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.