SCHEMBL4970235

SCHEMBL4970235

NC(=O)c1cnc(-c2ccccc2C(F)(F)F)cc1N

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.51
SCN9A Q15858 4/20 0.46
ATR Q13535 1/20 0.46
PARP1 P09874 1/20 0.45
ALOX5AP P20292 2/20 0.43
FEN1 P39748 2/20 0.43
CDC7 O00311 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
DBF4 Q9UBU7 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.42
TSHR P16473 1/20 0.42
CAMKK2 Q96RR4 1/20 0.40
NTRK1 P04629 1/20 0.40
HSP90AA1 P07900 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39

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
SCHEMBL28040987 0.81 CYP1A2 (0.50) KMOSCN9AATRALOX5APFEN1
SCHEMBL3244187 0.75 KMO (0.50) KMOSCN9AATRPARP1CDC7
SCHEMBL2448219 0.75 KMO (0.44) KMOATRALOX5APFEN1CYP1A2
SCHEMBL14471492 0.75 PARP1 (0.47) KMOSCN9AATRPARP1CDC7
SCHEMBL14471489 0.74 SCN9A (0.46) KMOSCN9AATRPARP1CDC7
SCHEMBL30290153 0.73 PARP1 (0.45) SCN9APARP1CYP1A2SCN10ACAMKK2
SCHEMBL30608075 0.73 PARP1 (0.56) KMOSCN9APARP1SCN10ATSHR
SCHEMBL5143960 0.73 PARP1 (0.56) KMOSCN9APARP1SCN10ATSHR
SCHEMBL27635469 0.72 BCAT2 (0.62) KMOSCN9APARP1ALOX5APFEN1
SCHEMBL3242203 0.72 KMO (0.44) KMOATRALOX5APFEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569925-A1 2-SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2005-09-07 EP claimed
WO-2004055003-A1 2-SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-07-01 WO claimed
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
CN-1726205-A 2-substituted quinazolin-4-ylamine analogues as capsaicin receptor modulators NEUROGEN CORP (US) 2006-01-25 CN disclosed
EP-1581225-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN NEUROGEN CORPORATION (US) 2005-10-05 EP disclosed
EP-1471910-A2 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES AS MODULATORS OF CAPSAICIN RECEPTORS NEUROGEN CORPORATION (US) 2004-11-03 EP 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
WO-2003062209-A2 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES AS MODULATORS OF CAPSAICIN NEUROGEN CORPORATION (US) 2003-07-31 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 (5 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 KMO 707/4885SCN9A 1693/4885ATR 4656/4885
US-20040142958-A1 Combination therapy for the treatment of pain OPRK1, OPRL1, OPRM1 KMO 823/4885SCN9A 385/4885ATR 3605/4885
US-20040156869-A1 2-substituted quinazolin-4-ylamine analogues PIGS, HRH4, GPR88 KMO 706/4885SCN9A 2004/4885ATR 4780/4885
US-20060173003-A1 Substituted quinazolin-4-ylamine analogues PIGS, HRH4, GPR88 KMO 707/4885SCN9A 1693/4885ATR 4656/4885
US-20040106616-A1 Substituted quinazolin-4-ylamine analogues PIGS, HRH4, GPR88 KMO 853/4885SCN9A 1657/4885ATR 4750/4885

“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.