SCHEMBL4914129

SCHEMBL4914129

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 14/20 0.39
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
DHODH Q02127 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
TNF P01375 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32

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
SCHEMBL4919136 0.94 TRPV1 (0.40) TRPV1DHODHABCG2
SCHEMBL4916038 0.92 TRPV1 (0.39) TRPV1RAB9AKMT2AKDM4ENPC1
SCHEMBL4908548 0.91 TRPV1 (0.39) TRPV1RAB9AKDM4ENPC1MAPT
SCHEMBL4908491 0.90 TRPV1 (0.51) TRPV1ABCG2
SCHEMBL4908520 0.90 TRPV1 (0.38) TRPV1RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL4915250 0.90 ABCG2 (0.41) TRPV1RAB9ASMN1; SMN2NPC1L3MBTL1
SCHEMBL14307219 0.90 TRPV1 (0.38) TRPV1MAPTABCG2
SCHEMBL4974204 0.90 TRPV1 (0.36) TRPV1
SCHEMBL5102263 0.90 TRPV1 (0.39) TRPV1RAB9AMEN1DHODHKMT2A
SCHEMBL4974083 0.89 TRPV1 (0.41) TRPV1DHODH

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 1/4885RAB9A 2090/4885MEN1 4438/4885
US-20080153857-A1 Substituted (7-pyridyl-4-phenylamino-quinazolin-2-yl)-methanol analogues GPR27, GPR88, MUSK TRPV1 211/4885RAB9A 926/4885MEN1 3633/4885

“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.