SCHEMBL6363702

SCHEMBL6363702

Cc1cnccc1C=CC(=O)N(C)C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNC P24863 11/20 0.55
CDK8 P49336 11/20 0.55
SIRT3 Q9NTG7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.36
NR4A2 P43354 1/20 0.36
HTT P42858 1/20 0.36
IP6K1 Q92551 1/20 0.35
IP6K2 Q9UHH9 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL16827890 1.00 CCNC (0.55) CCNCCDK8SIRT3TDP1TRPM8
SCHEMBL9756928 0.81 CCNC (0.50) CCNCCDK8SIRT3TDP1
SCHEMBL9756927 0.81 CCNC (0.50) CCNCCDK8SIRT3TDP1
SCHEMBL3732406 0.76 TRPM8 (0.48) CCNCCDK8TRPM8NR4A2IP6K1
SCHEMBL19954281 0.76 TRPM8 (0.48) CCNCCDK8TRPM8NR4A2IP6K1
SCHEMBL1652393 0.76 CCNC (0.48) CCNCCDK8MEN1MAPTKMT2A
SCHEMBL30034808 0.75 CCNC (0.59) CCNCCDK8NPC1RAB9A
SCHEMBL22147601 0.75 CCNC (0.39) CCNCCDK8SIRT3TDP1
SCHEMBL24150009 0.74 JUN (0.62) CCNCCDK8TDP1TRPM8HTT
SCHEMBL3275450 0.74 JUN (0.62) CCNCCDK8TDP1TRPM8HTT

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-20050277639-A1 2-Pyridinyl[7-(substituted-pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methanones DOV PHARMACEUTICAL, INC. 2005-12-15 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-20050277639-A1 2-Pyridinyl[7-(substituted-pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methanones HTR1A, HTR2B, HTR4 CCNC 1277/4885CDK8 1576/4885SIRT3 1868/4885

“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.