SCHEMBL4676017

SCHEMBL4676017

Cn1ccnc1-c1ccc2c(Nc3ccc(C(F)(F)F)cc3)nncc2c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.42
EPHX2 P34913 5/20 0.41
RIPK2 O43353 1/20 0.39
EGFR P00533 2/20 0.38
KDR P35968 2/20 0.38
PDGFRB P09619 1/20 0.38
LRRK2 Q5S007 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38

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
SCHEMBL4678750 0.81 TRPV1 (0.50) TRPV1EPHX2
SCHEMBL4675585 0.80 EPHX2 (0.64) TRPV1EPHX2
SCHEMBL4676118 0.79 EPHX2 (0.48) TRPV1EPHX2EGFRKDRPDGFRB
SCHEMBL4674553 0.79 EPHX2 (0.42) TRPV1EPHX2EGFRKDR
SCHEMBL4677054 0.79 EGFR (0.43) TRPV1EPHX2EGFRKDRPDGFRB
SCHEMBL4675893 0.78 KIF11 (0.44) TRPV1EPHX2EGFRKDRABCG2
SCHEMBL4674839 0.78 TRPV1 (0.47) TRPV1EPHX2EGFRKDRABCG2
SCHEMBL4674915 0.78 EPHX2 (0.47) TRPV1EPHX2EGFRKDRPDGFRB
SCHEMBL4675723 0.77 TRPV1 (0.46) TRPV1EPHX2EGFRKDRPDGFRB
SCHEMBL4674901 0.76 TRPV1 (0.52) TRPV1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1625119-B1 SUBSTITUTED-1-PHTHALAZINAMINES AS VR-1 ANTAGONISTS MERCK SHARP & DOHME (GB) 2008-07-23 EP claimed
US-20060229307-A1 Substituted-1-phthalazinamines as vr-1 antagonists MERCK SHARP & DOHME LTD. (GB) 2006-10-12 US claimed
EP-1625119-A1 SUBSTITUTED-1-PHTHALAZINAMINES AS VR-1 ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2006-02-15 EP claimed
WO-2004099177-A1 SUBSTITUTED-1-PHTHALAZINAMINES AS VR-1 ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2004-11-18 WO claimed
EP-1625119-B1 SUBSTITUTED-1-PHTHALAZINAMINES AS VR-1 ANTAGONISTS MERCK SHARP & DOHME (GB) 2008-07-23 EP disclosed
US-7329659-B2 Substituted-1-phthalazinamines as vr-1 antagonists MERCK SHARP & DOHME LIMITED (GB) 2008-02-12 US disclosed
US-20060229307-A1 Substituted-1-phthalazinamines as vr-1 antagonists MERCK SHARP & DOHME LTD. (GB) 2006-10-12 US disclosed
EP-1625119-A1 SUBSTITUTED-1-PHTHALAZINAMINES AS VR-1 ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2006-02-15 EP disclosed
WO-2004099177-A1 SUBSTITUTED-1-PHTHALAZINAMINES AS VR-1 ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2004-11-18 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-20060229307-A1 Substituted-1-phthalazinamines as vr-1 antagonists TRPV1, ARRB1, AVPR1A TRPV1 1/4885EPHX2 4276/4885RIPK2 1789/4885

“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.