SCHEMBL4176019

SCHEMBL4176019

CC(C)(C)Nc1ncnc2ccc(-c3ccc(F)c(C=O)c3)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 2/20 0.55
EGFR P00533 2/20 0.45
PDPK1 O15530 1/20 0.45
MAP4K4 O95819 3/20 0.44
CCNE2 O96020 4/20 0.43
CCNE1 P24864 4/20 0.43
CDK2 P24941 4/20 0.43
RAF1 P04049 7/20 0.42
BRAF P15056 7/20 0.42
CDK4 P11802 2/20 0.42
CCND1 P24385 2/20 0.42
ERBB2 P04626 1/20 0.41
ERBB4 Q15303 1/20 0.41
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40

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
SCHEMBL4180550 0.80 MAP4K4 (0.62) CD38MAP4K4USP2LMNACYP1A2
SCHEMBL4181669 0.74 CD38 (0.48) CD38MAP4K4USP2LMNACYP1A2
SCHEMBL4177915 0.72 CD38 (0.44) CD38USP2LMNACYP1A2CYP3A4
SCHEMBL4184788 0.72 IRAK4 (0.44) CD38PDPK1USP2CYP1A2CYP3A4
SCHEMBL4178119 0.72 IRAK4 (0.43) CD38PDPK1USP2CYP1A2CYP3A4
SCHEMBL4181044 0.70 CD38 (0.44) CD38USP2LMNACYP1A2CYP3A4
SCHEMBL4180757 0.70 IRAK4 (0.43) CD38PDPK1USP2LMNACYP1A2
SCHEMBL4187250 0.70 IRAK4 (0.42) CD38USP2LMNACYP1A2CYP3A4
SCHEMBL4170443 0.70 IRAK4 (0.44) CD38PDPK1USP2CYP1A2CYP3A4
SCHEMBL4181491 0.69 IRAK4 (0.42) CD38PDPK1RAF1BRAFUSP2

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 3 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 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 3184/4885EGFR 1276/4885PDPK1 1133/4885

“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.