SCHEMBL4970768

SCHEMBL4970768

CC(C)(C)c1ccc(Nc2ncnc3cc(-c4ncccc4C(F)(F)F)ccc23)cc1OCCN1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 14/20 0.59
EGFR P00533 5/20 0.49
KDR P35968 4/20 0.49
EPHB4 P54760 2/20 0.49
EPHA2 P29317 1/20 0.49
BRAF P15056 3/20 0.47
CIT O14578 1/20 0.45
GAK O14976 1/20 0.45
EPHB6 O15197 1/20 0.45
ABCC4 O15439 1/20 0.45
DAPK3 O43293 1/20 0.45
RIPK2 O43353 1/20 0.45
NR1I2 O75469 1/20 0.45
RPS6KA4 O75676 1/20 0.45
STK17B O94768 1/20 0.45
STK10 O94804 1/20 0.45
PRKD3 O94806 1/20 0.45
ABCB11 O95342 1/20 0.45
MAP4K4 O95819 1/20 0.45
CHEK2 O96017 1/20 0.45

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
SCHEMBL4972877 0.93 TRPV1 (0.62) TRPV1EGFRKDREPHB4EPHA2
SCHEMBL4973720 0.93 TRPV1 (0.61) TRPV1EGFR
SCHEMBL4971897 0.93 TRPV1 (0.61) TRPV1EGFRKDREPHB4EPHA2
SCHEMBL14283209 0.89 TRPV1 (0.58) TRPV1
SCHEMBL4974013 0.89 TRPV1 (0.58) TRPV1
SCHEMBL4975201 0.89 TRPV1 (0.58) TRPV1
SCHEMBL4974018 0.89 TRPV1 (0.58) TRPV1
SCHEMBL4973270 0.86 TRPV1 (0.69) TRPV1
SCHEMBL4975513 0.86 TRPV1 (0.55) TRPV1EGFRKDREPHB4BRAF
SCHEMBL14051789 0.85 TRPV1 (0.57) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 TRPV1 244/4885EGFR 833/4885KDR 370/4885
US-20040142958-A1 Combination therapy for the treatment of pain OPRK1, OPRL1, OPRM1 TRPV1 36/4885EGFR 3060/4885KDR 982/4885
US-20060173003-A1 Substituted quinazolin-4-ylamine analogues PIGS, HRH4, GPR88 TRPV1 244/4885EGFR 833/4885KDR 370/4885

“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.