SCHEMBL4682148

SCHEMBL4682148

FC(F)(F)c1ccc(Nc2nncc3cc(Br)cnc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.46
EPHX2 P34913 9/20 0.42
EGFR P00533 3/20 0.40
TRPV1 Q8NER1 2/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDR P35968 2/20 0.38
PDGFRB P09619 1/20 0.38
DHODH Q02127 1/20 0.37
CDK1 P06493 1/20 0.37

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
SCHEMBL4679802 0.81 EGFR (0.47) EPHX2EGFRMEN1RAB9AKMT2A
SCHEMBL4676858 0.76 EPHX2 (0.56) EPHX2TRPV1
SCHEMBL5739760 0.75 TRPV1 (0.60) BACE1EPHX2EGFRTRPV1KDR
SCHEMBL22452591 0.70 KCNH2 (0.44) EPHX2CDK1
SCHEMBL17396542 0.69 EGFR (0.47) EPHX2EGFRMEN1RAB9AKMT2A
SCHEMBL4675893 0.68 KIF11 (0.44) EPHX2EGFRTRPV1MEN1RAB9A
SCHEMBL4678051 0.68 KDR (0.44) EGFRTRPV1MEN1KMT2AKDR
SCHEMBL22452592 0.67 CHRNB4 (0.51) TRPV1DHODH
SCHEMBL4674553 0.67 EPHX2 (0.42) EPHX2EGFRTRPV1MEN1RAB9A
SCHEMBL4674839 0.66 TRPV1 (0.47) EPHX2EGFRTRPV1MEN1RAB9A

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 BACE1 1249/4885EPHX2 4276/4885EGFR 2360/4885

“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.