SCHEMBL4679802

SCHEMBL4679802

FC(F)(F)c1ccc(Nc2nncc3cc(Br)ccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.47
KDR P35968 5/20 0.47
EPHX2 P34913 9/20 0.45
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PDGFRB P09619 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
TRPA1 O75762 1/20 0.39
DHODH Q02127 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
SCHEMBL4678051 0.87 KDR (0.44) EGFRKDRMEN1KMT2APDGFRB
SCHEMBL4680096 0.84 EGFR (0.44) EGFRKDREPHX2TRPA1DHODH
SCHEMBL14283138 0.82 EGFR (0.52) EGFRKDRRAB9ATDP1ABCG2
SCHEMBL4682148 0.81 BACE1 (0.46) EGFRKDREPHX2MEN1RAB9A
SCHEMBL4675893 0.79 KIF11 (0.44) EGFRKDREPHX2MEN1RAB9A
SCHEMBL4677054 0.77 EGFR (0.43) EGFRKDREPHX2MEN1RAB9A
SCHEMBL4675714 0.77 EPHX2 (0.62) EGFRKDREPHX2MEN1RAB9A
SCHEMBL4674553 0.77 EPHX2 (0.42) EGFRKDREPHX2MEN1RAB9A
SCHEMBL4678972 0.77 EGFR (0.43) EGFRKDREPHX2MEN1RAB9A
SCHEMBL4676269 0.77 TRPV1 (0.48)

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
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 EGFR 2360/4885KDR 397/4885EPHX2 4276/4885

“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.