SCHEMBL4715977

SCHEMBL4715977

Cn1cc2c(Nc3cc(-c4ccc(C(F)(F)F)cc4)cnn3)cccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.43
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 2/20 0.36
TRPV1 Q8NER1 4/20 0.36
MAPKAPK2 P49137 2/20 0.36
TEAD1 P28347 1/20 0.35
TEAD4 Q15561 1/20 0.35
TEAD2 Q15562 1/20 0.35
TEAD3 Q99594 1/20 0.35
SYK P43405 2/20 0.35
FLT3 P36888 1/20 0.35
AURKB Q96GD4 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
NFKB1 P19838 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 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
SCHEMBL4718506 0.81 MAPT (0.53) MAPK10TRPV1MAPKAPK2KDM4EALDH1A1
SCHEMBL4718707 0.80 TRPV1 (0.44) MAPK10TRPV1KDM4EALDH1A1LMNA
SCHEMBL4719647 0.80 MAPK10 (0.52) MAPK10TRPV1MAPKAPK2MAPT
SCHEMBL4715440 0.78 TRPV1 (0.44) MAPK10TRPV1
SCHEMBL4716112 0.77 MAPK10 (0.39) MAPK10TRPV1KDM4EALDH1A1LMNA
SCHEMBL4716610 0.76 TRPV1 (0.45) MAPK10TRPV1KDM4EALDH1A1LMNA
SCHEMBL4718629 0.76 MAPK10 (0.43) MAPK10TRPV1MAPKAPK2KDM4EALDH1A1
SCHEMBL4715596 0.75 TRPV1 (0.58) TRPV1KDM4EALDH1A1MAPT
SCHEMBL4716536 0.75 TRPV1 (0.58) TRPV1
SCHEMBL4715945 0.73 KDM4E (0.39) MAPK10TRPV1MAPKAPK2KDM4EALDH1A1

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-7442701-B2 Amino-heterocycles as VR-1 antagonists for treating pain MERCK SHARP & DOHME LTD. (GB) 2008-10-28 US disclosed
EP-1562934-B1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME (GB) 2008-03-26 EP disclosed
US-20060040947-A1 Amino-heterocycles as vr-1 antagonists for treating pain MERCK SHARP & DOHME LTD. (GB) 2006-02-23 US disclosed
EP-1562934-A1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2005-08-17 EP disclosed
WO-2004046133-A1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2004-06-03 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-20060040947-A1 Amino-heterocycles as vr-1 antagonists for treating pain OPRL1, CNR1, GPR6 MAPK10 3522/4885ADORA3 285/4885ADORA2A 402/4885

“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.