SCHEMBL4183770

SCHEMBL4183770

c1cc(CN2CCCC2)cc(-c2ccc3ncnc(NC4CC4)c3c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.62
CYP1A2 P05177 9/20 0.59
CLK4 Q9HAZ1 8/20 0.59
CYP3A4 P08684 8/20 0.59
CYP2C19 P33261 7/20 0.59
USP2 O75604 6/20 0.59
LMNA P02545 6/20 0.59
MAPK1 P28482 5/20 0.59
CYP2D6 P10635 4/20 0.59
TSHR P16473 3/20 0.59
ALDH1A1 P00352 2/20 0.59
ALOX15 P16050 2/20 0.59
IRAK4 Q9NWZ3 6/20 0.55
CNR1 P21554 2/20 0.54
HSD17B10 Q99714 4/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NSD2 O96028 1/20 0.53
KDM4E B2RXH2 1/20 0.52
CNR2 P34972 1/20 0.51

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
SCHEMBL4167322 0.99 MAP4K4 (0.61) MAP4K4CYP1A2CLK4CYP3A4CYP2C19
SCHEMBL4185474 0.97 MAP4K4 (0.62) MAP4K4CYP1A2CLK4CYP3A4CYP2C19
SCHEMBL4185148 0.97 MAP4K4 (0.65) MAP4K4CYP1A2CLK4CYP3A4CYP2C19
SCHEMBL4178769 0.91 IRAK4 (0.65) MAP4K4CYP1A2CLK4CYP3A4CYP2C19
SCHEMBL4174267 0.86 MAP4K4 (0.64) MAP4K4CYP1A2CLK4CYP3A4CYP2C19
SCHEMBL4174527 0.86 MAP4K4 (0.58) MAP4K4CYP1A2CLK4CYP3A4CYP2C19
SCHEMBL4182576 0.84 CYP1A2 (0.57) MAP4K4CYP1A2CLK4CYP3A4CYP2C19
SCHEMBL4168742 0.84 CD38 (0.49) MAP4K4CYP1A2CLK4CYP3A4CYP2C19
SCHEMBL4176710 0.84 MAP4K4 (0.58) MAP4K4CYP1A2CLK4CYP3A4CYP2C19
SCHEMBL4170808 0.83 MAP4K4 (0.55) MAP4K4CYP1A2CLK4CYP3A4CYP2C19

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 1 patent. 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

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 MAP4K4 1662/4885CYP1A2 4353/4885CLK4 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.