SCHEMBL4977971

SCHEMBL4977971

C=CCNc1nc(N)nc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 15/20 0.63
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
KDM4E B2RXH2 2/20 0.59
GLA P06280 1/20 0.59
TSHR P16473 1/20 0.59
NPY1R P25929 1/20 0.59
HSD17B10 Q99714 1/20 0.59
MAPT P10636 2/20 0.59
RAB9A P51151 2/20 0.59
GAA P10253 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
SUMO3 P55854 1/20 0.58
SUMO2 P61956 1/20 0.58
SUMO1 P63165 1/20 0.58
HIF1A Q16665 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL9287754 0.84 SUMO3 (0.72) APPMEN1KMT2AKDM4EGLA
SCHEMBL4980653 0.81 KMT2A (0.59) MEN1KMT2AKDM4EGLATSHR
SCHEMBL4864986 0.80 PDE5A (0.64) MEN1KMT2AKDM4EGLATSHR
SCHEMBL13009791 0.78 APP (1.00) APPMEN1KMT2AKDM4EMAPT
SCHEMBL10838568 0.78 APP (0.74) APP
SCHEMBL5238637 0.77 KMT2A (0.54) MEN1KMT2AKDM4EGLATSHR
SCHEMBL4864291 0.76 KDM4E (0.53) APPMEN1KMT2AKDM4EGLA
SCHEMBL18072302 0.75 APP (0.66) APP
SCHEMBL560210 0.75 POLB (0.58) MEN1KMT2AKDM4EGLATSHR
SCHEMBL7683602 0.74 CCNA2 (0.43) MEN1KMT2AMAPTRAB9ASMN1; SMN2

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-7304059-B2 Substituted quinazolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2007-12-04 US disclosed
EP-1720542-A4 ARYLALKYLAMINO-SUBSTITUTED QUINAZOLINE ANALOGUES NEUROGEN CORP (US) 2007-11-28 EP disclosed
US-20070219203-A1 Arylalkylamino-substituted quinazoline analogues NEUROGEN CORPORATION (US) 2007-09-20 US disclosed
CN-1950081-A Arylalkylamino-substituted quinazoline analogues NEUROGEN CORP (US) 2007-04-18 CN disclosed
EP-1720542-A1 ARYLALKYLAMINO-SUBSTITUTED QUINAZOLINE ANALOGUES NEUROGEN CORPORATION (US) 2006-11-15 EP 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
WO-2005087227-A1 ARYLALKYLAMINO-SUBSTITUTED QUINAZOLINE ANALOGUES NEUROGEN CORPORATION (US) 2005-09-22 WO 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 (6 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 APP 4613/4885MEN1 3817/4885KMT2A 2200/4885
US-20040142958-A1 Combination therapy for the treatment of pain OPRK1, OPRL1, OPRM1 APP 4399/4885MEN1 4577/4885KMT2A 2232/4885
US-20070219203-A1 Arylalkylamino-substituted quinazoline analogues PIGS, GPR35, HRH4 APP 4450/4885MEN1 4625/4885KMT2A 3387/4885
US-20040156869-A1 2-substituted quinazolin-4-ylamine analogues PIGS, HRH4, GPR88 APP 4383/4885MEN1 3835/4885KMT2A 2098/4885
US-20060173003-A1 Substituted quinazolin-4-ylamine analogues PIGS, HRH4, GPR88 APP 4613/4885MEN1 3817/4885KMT2A 2200/4885
US-20040106616-A1 Substituted quinazolin-4-ylamine analogues PIGS, HRH4, GPR88 APP 4607/4885MEN1 3714/4885KMT2A 2473/4885

“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.