SCHEMBL4177440

SCHEMBL4177440

O=C(NCc1cccc(-c2ccc3ncnc(NC4CC4)c3c2)c1)c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 10/20 0.49
MAP4K4 O95819 2/20 0.48
CYP1A2 P05177 6/20 0.48
USP2 O75604 5/20 0.48
CYP3A4 P08684 5/20 0.48
CLK4 Q9HAZ1 5/20 0.48
CYP2C19 P33261 5/20 0.48
CYP2D6 P10635 3/20 0.48
TSHR P16473 2/20 0.48
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
LMNA P02545 4/20 0.47
MAPK1 P28482 3/20 0.47
ALDH1A1 P00352 2/20 0.47
ALOX15 P16050 2/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TP53 P04637 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL4172996 0.90 MAP4K4 (0.52) IRAK4MAP4K4CYP1A2USP2CYP3A4
SCHEMBL4180541 0.86 CYP1A2 (0.59) IRAK4MAP4K4CYP1A2USP2CYP3A4
SCHEMBL4180125 0.85 IRAK4 (0.51) IRAK4MAP4K4CYP1A2USP2CYP3A4
SCHEMBL4184294 0.84 IRAK4 (0.49) IRAK4MAP4K4CYP1A2USP2CYP3A4
SCHEMBL4190940 0.83 MAP4K4 (0.57) IRAK4MAP4K4CYP1A2USP2CYP3A4
SCHEMBL4175238 0.82 MAP4K4 (0.54) IRAK4MAP4K4CYP1A2USP2CYP3A4
SCHEMBL4185146 0.81 MAP4K4 (0.58) IRAK4MAP4K4CYP1A2USP2CYP3A4
SCHEMBL4188411 0.81 MAP4K4 (0.53) IRAK4MAP4K4CYP1A2USP2CYP3A4
SCHEMBL4183824 0.81 MAP4K4 (0.55) IRAK4MAP4K4CYP1A2USP2CYP3A4
SCHEMBL4654317 0.81 MAP4K4 (0.61) IRAK4MAP4K4CYP1A2USP2CYP3A4

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 IRAK4 864/4885MAP4K4 1662/4885CYP1A2 4353/4885

“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.