SCHEMBL3486024

SCHEMBL3486024

Cn1ncc(/C=C/C(=O)Nc2ccc(CCc3nnco3)cc2)c1-c1ccc(F)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNC P24863 14/20 0.72
CDK8 P49336 14/20 0.72
CDK19 Q9BWU1 2/20 0.72
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
HPSE Q9Y251 2/20 0.37
MMP1 P03956 2/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
EGFR P00533 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
SCHEMBL3486028 1.00 CCNC (0.72) CCNCCDK8CDK19NPC1TP53
SCHEMBL4826674 0.92 CCNC (0.61) CCNCCDK8CDK19NPC1TP53
SCHEMBL4826684 0.92 CCNC (0.61) CCNCCDK8CDK19NPC1TP53
SCHEMBL4833159 0.86 CCNC (0.54) CCNCCDK8CDK19NPC1TP53
SCHEMBL4833145 0.86 CCNC (0.54) CCNCCDK8CDK19NPC1TP53
SCHEMBL4834390 0.86 CCNC (0.53) CCNCCDK8CDK19NPC1TP53
SCHEMBL4834408 0.86 CCNC (0.53) CCNCCDK8CDK19NPC1TP53
SCHEMBL4836714 0.84 CCNC (0.51) CCNCCDK8CDK19NPC1TP53
SCHEMBL4836704 0.84 CCNC (0.51) CCNCCDK8CDK19NPC1TP53
SCHEMBL14874648 0.83 CCNC (1.00) CCNCCDK8CDK19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029724-A1 SCREENING METHOD TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-02-04 US disclosed
EP-2039779-A1 SCREENING METHOD Takeda Pharmaceutical Company Limited (JP) 2009-03-25 EP disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 WO 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.