SCHEMBL4980653

SCHEMBL4980653

C=CCNc1nc(O)nc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.59
KDM4E B2RXH2 6/20 0.59
MEN1 O00255 5/20 0.59
GLA P06280 2/20 0.59
TSHR P16473 1/20 0.59
NPY1R P25929 1/20 0.59
HSD17B10 Q99714 1/20 0.59
MAPT P10636 5/20 0.59
GAA P10253 4/20 0.59
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
SUMO3 P55854 1/20 0.58
SUMO2 P61956 1/20 0.58
SUMO1 P63165 1/20 0.58
HIF1A Q16665 1/20 0.56
ALDH1A1 P00352 4/20 0.50
HPGD P15428 1/20 0.48
RAD52 P43351 2/20 0.46
NPSR1 Q6W5P4 2/20 0.45
LMNA P02545 2/20 0.45

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) KMT2AKDM4EMEN1GLATSHR
SCHEMBL4977971 0.81 APP (0.63) KMT2AKDM4EMEN1GLATSHR
SCHEMBL4864986 0.80 PDE5A (0.64) KMT2AKDM4EMEN1GLATSHR
SCHEMBL560210 0.78 POLB (0.58) KMT2AKDM4EMEN1GLATSHR
SCHEMBL5238637 0.77 KMT2A (0.54) KMT2AKDM4EMEN1GLATSHR
SCHEMBL4864291 0.76 KDM4E (0.53) KMT2AKDM4EMEN1GLATSHR
SCHEMBL14218356 0.76 MEN1 (0.51) KMT2AKDM4EMEN1GLATSHR
SCHEMBL11237247 0.74 SMN1; SMN2 (1.00) KMT2AKDM4EMEN1GLATSHR
SCHEMBL13458341 0.73 KDM4E (0.59) KMT2AKDM4EMEN1TSHRHSD17B10
SCHEMBL28754732 0.72 KDM4E (0.38) KMT2AKDM4EMEN1GLAHSD17B10

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 13 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
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
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 KMT2A 2200/4885KDM4E 2662/4885MEN1 3817/4885
US-20040142958-A1 Combination therapy for the treatment of pain OPRK1, OPRL1, OPRM1 KMT2A 2232/4885KDM4E 4717/4885MEN1 4577/4885
US-20040156869-A1 2-substituted quinazolin-4-ylamine analogues PIGS, HRH4, GPR88 KMT2A 2098/4885KDM4E 2859/4885MEN1 3835/4885
US-20060173003-A1 Substituted quinazolin-4-ylamine analogues PIGS, HRH4, GPR88 KMT2A 2200/4885KDM4E 2662/4885MEN1 3817/4885
US-20040106616-A1 Substituted quinazolin-4-ylamine analogues PIGS, HRH4, GPR88 KMT2A 2473/4885KDM4E 3001/4885MEN1 3714/4885

“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.