SCHEMBL4177510

SCHEMBL4177510

Cc1nc(C(=O)N(Cc2cc(-c3ccc4ncnc(NC(C)(C)C)c4c3)ccc2F)C2CC2)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.41
IRAK4 Q9NWZ3 10/20 0.40
CLK4 Q9HAZ1 6/20 0.40
CLK1 P49759 3/20 0.40
CLK2 P49760 2/20 0.40
CLK3 P49761 2/20 0.40
DYRK1A Q13627 2/20 0.40
PIP4K2C Q8TBX8 2/20 0.40
DYRK1B Q9Y463 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 5/20 0.40
USP2 O75604 4/20 0.40
CYP3A4 P08684 3/20 0.40
PDPK1 O15530 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 3/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 2/20 0.37
CYP2D6 P10635 2/20 0.37

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
SCHEMBL4177491 0.90 CYP1A2 (0.52) IRAK4CLK4CYP1A2USP2CYP3A4
SCHEMBL4179016 0.87 PDPK1 (0.42) CD38IRAK4CLK4CYP1A2USP2
SCHEMBL4173806 0.86 CYP1A2 (0.45) CD38IRAK4CLK4CYP1A2USP2
SCHEMBL4171871 0.85 CYP1A2 (0.42) CD38IRAK4CLK4CYP1A2USP2
SCHEMBL4180096 0.85 IRAK4 (0.44) CD38IRAK4CLK4CYP1A2USP2
SCHEMBL4180757 0.85 IRAK4 (0.43) CD38IRAK4CLK4CYP1A2USP2
SCHEMBL4184788 0.84 IRAK4 (0.44) CD38IRAK4CLK4CYP1A2USP2
SCHEMBL4190664 0.84 CYP1A2 (0.42) CD38IRAK4CLK4CLK1CLK2
SCHEMBL4178119 0.84 IRAK4 (0.43) CD38IRAK4CLK4CYP1A2USP2
SCHEMBL4176574 0.83 CLK4 (0.41) CD38IRAK4CLK4CLK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 US claimed
EP-1996562-A1 SUBSTITUTED 4-AMINO-QUINAZOLINE DERIVATIVES AS REGULATORS OF METABOTROPIC GLUTAMATE RECEPTORS AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-12-03 EP claimed
WO-2007104560-A1 SUBSTITUTED 4-AMINO-QUINAZOLINE DERIVATIVES AS REGULATORS OF METABOTROPIC GLUTAMATE RECEPTORS AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-09-20 WO claimed
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 US disclosed
EP-1996562-A1 SUBSTITUTED 4-AMINO-QUINAZOLINE DERIVATIVES AS REGULATORS OF METABOTROPIC GLUTAMATE RECEPTORS AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-12-03 EP disclosed
WO-2007104560-A1 SUBSTITUTED 4-AMINO-QUINAZOLINE DERIVATIVES AS REGULATORS OF METABOTROPIC GLUTAMATE RECEPTORS AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-09-20 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 (1 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-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 CD38 3184/4885IRAK4 864/4885CLK4 3820/4885

“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.