SCHEMBL3946558

SCHEMBL3946558

O=C(/C=C/C=C(/c1ccncc1)c1ccc(C(F)(F)F)cc1)Nc1cccc2cnccc12

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 18/20 0.60
CHEK1 O14757 1/20 0.51
PIM1 P11309 1/20 0.51
CDK8 P49336 1/20 0.51
GSK3B P49841 1/20 0.51
CDK7 P50613 1/20 0.51
CDK9 P50750 1/20 0.51
LIMK1 P53667 1/20 0.51
ROCK1 Q13464 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL3946560 1.00 TRPV1 (0.60) TRPV1CHEK1PIM1CDK8GSK3B
SCHEMBL3946554 1.00 TRPV1 (0.60) TRPV1CHEK1PIM1CDK8GSK3B
SCHEMBL3937017 0.99 TRPV1 (0.61) TRPV1CHEK1PIM1CDK8GSK3B
SCHEMBL3937023 0.99 TRPV1 (0.61) TRPV1CHEK1PIM1CDK8GSK3B
SCHEMBL3943231 0.96 TRPV1 (0.58) TRPV1CHEK1PIM1CDK8GSK3B
SCHEMBL3943228 0.96 TRPV1 (0.58) TRPV1CHEK1PIM1CDK8GSK3B
SCHEMBL3948060 0.96 TRPV1 (0.58) TRPV1CHEK1PIM1CDK8GSK3B
SCHEMBL3940497 0.95 TRPV1 (0.57) TRPV1CHEK1PIM1CDK8GSK3B
SCHEMBL3940320 0.95 TRPV1 (0.57) TRPV1CHEK1PIM1CDK8GSK3B
SCHEMBL3941171 0.95 TRPV1 (0.57) 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 2741/4885CHEK1 4811/4885PIM1 1861/4885

“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.