SCHEMBL4970862

SCHEMBL4970862

Cc1nc(Nc2ccc(OC(F)(F)F)cc2)c2ccc(-c3ncccc3C)nc2n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.47
TRPV1 Q8NER1 5/20 0.46
CHRNA7 P36544 1/20 0.41
ABCG2 Q9UNQ0 2/20 0.40
EPHX2 P34913 2/20 0.40
ABL1 P00519 5/20 0.40
BCR P11274 5/20 0.40
CTSC P53634 1/20 0.39
TTBK1 Q5TCY1 1/20 0.38
TTBK2 Q6IQ55 1/20 0.38
EIF2AK2 P19525 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
SCHEMBL4976189 0.88 TRPV1 (0.49) DHODHTRPV1ABCG2EPHX2ABL1
SCHEMBL14318785 0.87 TRPV1 (0.42) TRPV1ABCG2EPHX2
SCHEMBL4974481 0.84 TRPV1 (0.41) DHODHTRPV1ABCG2EPHX2ABL1
SCHEMBL4972756 0.82 TRPV1 (0.46) TRPV1ABCG2EPHX2
SCHEMBL4973730 0.80 TRPV1 (0.46) TRPV1ABCG2EPHX2
SCHEMBL4973541 0.79 TRPV1 (0.40) TRPV1EPHX2
SCHEMBL810113 0.78 TRPV1 (0.44) TRPV1ABCG2EPHX2
SCHEMBL4976316 0.78 TRPV1 (0.44) TRPV1EPHX2
SCHEMBL6430273 0.78 ABCG2 (0.38) TRPV1ABCG2EPHX2
SCHEMBL4974019 0.78 TRPV1 (0.59) 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 10 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-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 DHODH 3588/4885TRPV1 244/4885CHRNA7 188/4885
US-20040142958-A1 Combination therapy for the treatment of pain OPRK1, OPRL1, OPRM1 DHODH 4379/4885TRPV1 36/4885CHRNA7 87/4885
US-20060173003-A1 Substituted quinazolin-4-ylamine analogues PIGS, HRH4, GPR88 DHODH 3588/4885TRPV1 244/4885CHRNA7 188/4885

“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.