SCHEMBL4675491

SCHEMBL4675491

CC(C)(C)c1ccc(Nc2nncc3cc(-c4ccccc4C(F)(F)F)ccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.53
TRPV1 Q8NER1 4/20 0.47
KDR P35968 6/20 0.44
EGFR P00533 2/20 0.44
TRPA1 O75762 2/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
ACP1 P24666 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL4675714 0.93 EPHX2 (0.62) EPHX2TRPV1KDREGFRTRPA1
SCHEMBL4679696 0.85 TRPV1 (0.67) TRPV1
SCHEMBL4975240 0.84 TRPV1 (0.55) EPHX2TRPV1TRPA1ABCG2MEN1
SCHEMBL4674768 0.81 TRPV1 (0.47) EPHX2TRPV1KDREGFRABCG2
SCHEMBL4971822 0.79 TRPV1 (0.64) EPHX2TRPV1ABCG2MEN1KMT2A
SCHEMBL4678999 0.79 TRPV1 (0.47) TRPV1KDREGFRABCG2MEN1
SCHEMBL4677217 0.78 EGFR (0.48) EPHX2KDREGFRTRPA1ABCG2
SCHEMBL4972411 0.78 TRPV1 (0.74) EPHX2TRPV1EGFRABCG2
SCHEMBL4677054 0.78 EGFR (0.43) EPHX2TRPV1KDREGFRABCG2
SCHEMBL4675297 0.77 TRPV1 (0.65) TRPV1

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 16 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
EP-1625119-B1 SUBSTITUTED-1-PHTHALAZINAMINES AS VR-1 ANTAGONISTS MERCK SHARP & DOHME (GB) 2008-07-23 EP disclosed
US-20080015183-A1 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2008-01-17 US disclosed
US-20080015183-A1 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2008-01-17 US disclosed
US-20080015183-A1 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2008-01-17 US disclosed
US-7304059-B2 Substituted quinazolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2007-12-04 US disclosed
US-7304059-B2 Substituted quinazolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2007-12-04 US disclosed
US-7304059-B2 Substituted quinazolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2007-12-04 US disclosed
US-20060173003-A1 Substituted quinazolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2006-08-03 US disclosed
US-7074799-B2 Substituted quinazolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2006-07-11 US disclosed
EP-1581225-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN NEUROGEN CORPORATION (US) 2005-10-05 EP disclosed
EP-1471910-A2 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES AS MODULATORS OF CAPSAICIN RECEPTORS NEUROGEN CORPORATION (US) 2004-11-03 EP disclosed
US-20040142958-A1 Combination therapy for the treatment of pain NEUROGEN CORPORATION 2004-07-22 US disclosed
WO-2004054582-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN NEUROGEN CORPORATION (US) 2004-07-01 WO disclosed
US-20040106616-A1 Substituted quinazolin-4-ylamine analogues NEUROGEN CORPORATION 2004-06-03 US disclosed
WO-2003062209-A2 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES AS MODULATORS OF CAPSAICIN NEUROGEN CORPORATION (US) 2003-07-31 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 (4 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-20080015183-A1 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES PIGS, HRH4, GPR88 EPHX2 4712/4885TRPV1 244/4885KDR 370/4885
US-20040142958-A1 Combination therapy for the treatment of pain OPRK1, OPRL1, OPRM1 EPHX2 2955/4885TRPV1 36/4885KDR 982/4885
US-20060173003-A1 Substituted quinazolin-4-ylamine analogues PIGS, HRH4, GPR88 EPHX2 4712/4885TRPV1 244/4885KDR 370/4885
US-20040106616-A1 Substituted quinazolin-4-ylamine analogues PIGS, HRH4, GPR88 EPHX2 4683/4885TRPV1 240/4885KDR 340/4885

“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.