SCHEMBL4919136

SCHEMBL4919136

CC(C)COCc1nc(Nc2ccc(F)cc2)c2ccc(-c3ncccc3Cl)nc2n1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.40
ABCG2 Q9UNQ0 3/20 0.37
DHODH Q02127 1/20 0.34

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
SCHEMBL4914129 0.94 TRPV1 (0.39) TRPV1ABCG2DHODH
SCHEMBL4908491 0.91 TRPV1 (0.51) TRPV1ABCG2
SCHEMBL14307219 0.91 TRPV1 (0.38) TRPV1ABCG2
SCHEMBL4916038 0.91 TRPV1 (0.39) TRPV1
SCHEMBL4908548 0.90 TRPV1 (0.39) TRPV1ABCG2
SCHEMBL4974083 0.90 TRPV1 (0.41) TRPV1DHODH
SCHEMBL4918665 0.90 TRPV1 (0.41) TRPV1
SCHEMBL4908520 0.90 TRPV1 (0.38) TRPV1
SCHEMBL4915250 0.90 ABCG2 (0.41) TRPV1ABCG2
SCHEMBL4916601 0.89 TRPV1 (0.53) 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-20080153857-A1 Substituted (7-pyridyl-4-phenylamino-quinazolin-2-yl)-methanol analogues NEUROGEN CORPORATION (US) 2008-06-26 US claimed
US-7329664-B2 Substituted (7-pyridyl-4-phenylamino-quinazolin-2-yl)-methanol analogues NEUROGEN CORPORATION (US) 2008-02-12 US claimed
US-20050215575-A1 (4-Isopropyl-phenyl)-[2-(tetrahydro-pyran-4-yloxymethyl)-7-(3-trifluoromethyl-pyridin-2-yl)-quinazolin-4-yl]-amine; 2-{4-[2-benzyloxymethyl-7-(3-trifluoromethyl-pyridin-2-yl)-quinazolin-4-ylamino]-phenyl}-2-methyl-propionitrile; treating conditions related to capsaicin receptor activation NEUROGEN CORPORATION 2005-09-29 US claimed
US-20080153857-A1 Substituted (7-pyridyl-4-phenylamino-quinazolin-2-yl)-methanol analogues NEUROGEN CORPORATION (US) 2008-06-26 US disclosed
US-20080153857-A1 Substituted (7-pyridyl-4-phenylamino-quinazolin-2-yl)-methanol analogues NEUROGEN CORPORATION (US) 2008-06-26 US disclosed
US-20080153857-A1 Substituted (7-pyridyl-4-phenylamino-quinazolin-2-yl)-methanol analogues NEUROGEN CORPORATION (US) 2008-06-26 US disclosed
US-7329664-B2 Substituted (7-pyridyl-4-phenylamino-quinazolin-2-yl)-methanol analogues NEUROGEN CORPORATION (US) 2008-02-12 US disclosed
US-7329664-B2 Substituted (7-pyridyl-4-phenylamino-quinazolin-2-yl)-methanol analogues NEUROGEN CORPORATION (US) 2008-02-12 US disclosed
US-7329664-B2 Substituted (7-pyridyl-4-phenylamino-quinazolin-2-yl)-methanol analogues NEUROGEN CORPORATION (US) 2008-02-12 US disclosed
US-20050215575-A1 (4-Isopropyl-phenyl)-[2-(tetrahydro-pyran-4-yloxymethyl)-7-(3-trifluoromethyl-pyridin-2-yl)-quinazolin-4-yl]-amine; 2-{4-[2-benzyloxymethyl-7-(3-trifluoromethyl-pyridin-2-yl)-quinazolin-4-ylamino]-phenyl}-2-methyl-propionitrile; treating conditions related to capsaicin receptor activation NEUROGEN CORPORATION 2005-09-29 US 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 (2 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-20050215575-A1 (4-Isopropyl-phenyl)-[2-(tetrahydro-pyran-4-yloxymethyl)-7-(3-trifluoromethyl-pyridin-2-yl)-quinazolin-4-yl]-amine; 2-{4-[2-benzyloxymethyl-7-(3-trifluoromethyl-pyridin-2-yl)-quinazolin-4-ylamino]-phenyl}-2-methyl-propionitrile; treating conditions related to capsaicin receptor activation TRPV1, CNR2, NTRK1 TRPV1 1/4885ABCG2 1958/4885DHODH 3805/4885
US-20080153857-A1 Substituted (7-pyridyl-4-phenylamino-quinazolin-2-yl)-methanol analogues GPR27, GPR88, MUSK TRPV1 211/4885ABCG2 950/4885DHODH 3621/4885

“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.