SCHEMBL4912957

SCHEMBL4912957

CN(C)C=CC(=O)c1ncccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.53
GAA P10253 4/20 0.52
HTT P42858 4/20 0.52
LMNA P02545 1/20 0.52
ALDH1A1 P00352 8/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
KDM4E B2RXH2 1/20 0.49
HPGD P15428 3/20 0.49
CYP1A2 P05177 1/20 0.49
ALOX12 P18054 1/20 0.49
CYP2C19 P33261 1/20 0.49
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
POLB P06746 2/20 0.43
HSP90AA1 P07900 1/20 0.43

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
SCHEMBL14033785 1.00 MAPT (0.53) MAPTGAAHTTLMNAALDH1A1
SCHEMBL4816828 0.83 MAPT (0.50) MAPTGAAHTTLMNAALDH1A1
SCHEMBL4816834 0.83 MAPT (0.50) MAPTGAAHTTLMNAALDH1A1
SCHEMBL23841243 0.80 MAPT (0.48) MAPTGAAHTTLMNAALDH1A1
SCHEMBL22719323 0.80 ALDH1A1 (0.57) MAPTGAAHTTLMNAALDH1A1
SCHEMBL22719324 0.80 ALDH1A1 (0.57) MAPTGAAHTTLMNAALDH1A1
SCHEMBL31145321 0.79 ALDH1A1 (0.49) MAPTGAAHTTLMNAALDH1A1
SCHEMBL504041 0.78 SMN1; SMN2 (0.53) MAPTGAAHTTLMNAALDH1A1
SCHEMBL504040 0.78 SMN1; SMN2 (0.53) MAPTGAAHTTLMNAALDH1A1
SCHEMBL12778132 0.78 SMN1; SMN2 (0.53) MAPTGAAHTTLMNAALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432275-B2 Carboxylic acid, phosphate or phosphonate substituted quinazolin-4-ylamine analogues as capsaicin receptor modulators NEUROGEN CORPORATION (US) 2008-10-07 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-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-20070105865-A1 Substituted bicyclic quinazolin-4-ylamine derivatives NEUROGEN CORPORATION (US) 2007-05-10 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
US-20060089354-A1 Carboxylic acid, phosphate or phosphonate substituted quinazolin-4-ylamine analogues as capsaicin receptor modulators NEUROGEN CORPORATION 2006-04-27 US disclosed
EP-1581225-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN NEUROGEN CORPORATION (US) 2005-10-05 EP 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
US-20040156869-A1 2-substituted quinazolin-4-ylamine analogues NEUROGEN CORPORATION 2004-08-12 US 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

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

For each of this compound's patents that has machine-readable text (9 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-20070105865-A1 Substituted bicyclic quinazolin-4-ylamine derivatives PIGS, HRH4, GPR35 MAPT 3433/4885GAA 1354/4885HTT 1207/4885
US-20080015183-A1 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES PIGS, HRH4, GPR88 MAPT 3685/4885GAA 1024/4885HTT 1198/4885
US-20040142958-A1 Combination therapy for the treatment of pain OPRK1, OPRL1, OPRM1 MAPT 3949/4885GAA 3728/4885HTT 2307/4885
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 MAPT 3232/4885GAA 2992/4885HTT 3170/4885
US-20060089354-A1 Carboxylic acid, phosphate or phosphonate substituted quinazolin-4-ylamine analogues as capsaicin receptor modulators P2RX3, P2RY1, HCAR3 MAPT 2503/4885GAA 752/4885HTT 2192/4885
US-20040156869-A1 2-substituted quinazolin-4-ylamine analogues PIGS, HRH4, GPR88 MAPT 3625/4885GAA 925/4885HTT 1296/4885
US-20060173003-A1 Substituted quinazolin-4-ylamine analogues PIGS, HRH4, GPR88 MAPT 3685/4885GAA 1024/4885HTT 1198/4885
US-20080153857-A1 Substituted (7-pyridyl-4-phenylamino-quinazolin-2-yl)-methanol analogues GPR27, GPR88, MUSK MAPT 3820/4885GAA 1244/4885HTT 2813/4885
US-20040106616-A1 Substituted quinazolin-4-ylamine analogues PIGS, HRH4, GPR88 MAPT 3733/4885GAA 1054/4885HTT 1256/4885

“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.