SCHEMBL4977976

SCHEMBL4977976

C=C(N)CNc1ncnc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.59
RAB9A P51151 3/20 0.59
GAA P10253 3/20 0.59
MAPT P10636 2/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
EGFR P00533 5/20 0.56
NR2F2 P24468 3/20 0.56
GALR3 O60755 2/20 0.56
HTT P42858 5/20 0.55
LMNA P02545 5/20 0.55
MAPK1 P28482 2/20 0.55
TSHR P16473 1/20 0.55
APP P05067 1/20 0.54
KDM4E B2RXH2 1/20 0.54
LDHA P00338 1/20 0.52
ALPG P10696 1/20 0.51
S1PR2 O95136 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HIF1A Q16665 1/20 0.49

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
SCHEMBL4980648 0.86 EGFR (0.62) SMN1; SMN2RAB9AGAAMAPTKMT2A
SCHEMBL15347754 0.79 LMNA (0.65) SMN1; SMN2RAB9AGAAMAPTKMT2A
SCHEMBL1520577 0.76 LMNA (0.75) SMN1; SMN2RAB9AGAAMAPTKMT2A
SCHEMBL29898476 0.76 LMNA (0.75) SMN1; SMN2RAB9AGAAMAPTKMT2A
SCHEMBL29898477 0.76 LMNA (0.75) SMN1; SMN2RAB9AGAAMAPTKMT2A
SCHEMBL10061697 0.75 SMN1; SMN2 (0.67) SMN1; SMN2RAB9AGAAMAPTKMT2A
SCHEMBL8498702 0.75 SMN1; SMN2 (0.60) SMN1; SMN2RAB9AGAAMAPTKMT2A
SCHEMBL11237247 0.74 SMN1; SMN2 (1.00) SMN1; SMN2RAB9AGAAMAPTKMT2A
SCHEMBL8506287 0.74 HTT (0.59) SMN1; SMN2RAB9AGAAMAPTKMT2A
SCHEMBL4424939 0.72 ADORA3 (0.56) SMN1; SMN2RAB9AGAAMAPTKMT2A

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 SMN1; SMN2 2871/4885RAB9A 923/4885GAA 1024/4885
US-20040142958-A1 Combination therapy for the treatment of pain OPRK1, OPRL1, OPRM1 SMN1; SMN2 842/4885RAB9A 4200/4885GAA 3728/4885
US-20070219203-A1 Arylalkylamino-substituted quinazoline analogues PIGS, GPR35, HRH4 SMN1; SMN2 3532/4885RAB9A 716/4885GAA 681/4885
US-20040156869-A1 2-substituted quinazolin-4-ylamine analogues PIGS, HRH4, GPR88 SMN1; SMN2 2560/4885RAB9A 1012/4885GAA 925/4885
US-20060173003-A1 Substituted quinazolin-4-ylamine analogues PIGS, HRH4, GPR88 SMN1; SMN2 2871/4885RAB9A 923/4885GAA 1024/4885
US-20040106616-A1 Substituted quinazolin-4-ylamine analogues PIGS, HRH4, GPR88 SMN1; SMN2 2601/4885RAB9A 938/4885GAA 1054/4885

“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.