SCHEMBL3944653

SCHEMBL3944653

N#Cc1cccc(C(=CC=CC(=O)Nc2cccc3cnccc23)c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.52
NPY5R Q15761 1/20 0.45
CHEK1 O14757 1/20 0.44
PIM1 P11309 1/20 0.44
CDK8 P49336 1/20 0.44
GSK3B P49841 1/20 0.44
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44
LIMK1 P53667 1/20 0.44
ROCK1 Q13464 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
VNN1 O95497 1/20 0.40

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
SCHEMBL3944640 1.00 TRPV1 (0.52) TRPV1NPY5RCHEK1PIM1CDK8
SCHEMBL4139146 0.94 TRPV1 (0.50) TRPV1NPY5RCHEK1PIM1CDK8
SCHEMBL4139143 0.94 TRPV1 (0.50) TRPV1NPY5RCHEK1PIM1CDK8
SCHEMBL4139148 0.94 TRPV1 (0.50) TRPV1NPY5RCHEK1PIM1CDK8
SCHEMBL3940207 0.92 TRPV1 (0.59) TRPV1NPY5RCHEK1PIM1CDK8
SCHEMBL3940216 0.92 TRPV1 (0.59) TRPV1NPY5RCHEK1PIM1CDK8
SCHEMBL3948621 0.90 TRPV1 (0.56) TRPV1NPY5RCHEK1PIM1CDK8
SCHEMBL3948623 0.90 TRPV1 (0.56) TRPV1NPY5RCHEK1PIM1CDK8
SCHEMBL3948380 0.88 TRPV1 (0.58) TRPV1CHEK1PIM1CDK8GSK3B
SCHEMBL3948385 0.88 TRPV1 (0.58) TRPV1CHEK1PIM1CDK8GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 EP 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-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 TRPV1 2741/4885NPY5R 279/4885CHEK1 4811/4885

“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.