SCHEMBL4178036

SCHEMBL4178036

CC(C)(C)Nc1ncnc2ccc(-c3cccc(CN4CCCC4)c3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.49
AVPR1B P47901 3/20 0.48
CLK4 Q9HAZ1 10/20 0.47
USP2 O75604 5/20 0.44
ALDH1A1 P00352 5/20 0.44
CYP1A2 P05177 5/20 0.44
CYP3A4 P08684 5/20 0.44
CYP2D6 P10635 4/20 0.44
LMNA P02545 3/20 0.44
CYP2C19 P33261 3/20 0.44
HSD17B10 Q99714 3/20 0.44
MEN1 O00255 2/20 0.44
CYP2C9 P11712 2/20 0.44
ALOX15 P16050 2/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
KMT2A Q03164 2/20 0.44
HIF1A Q16665 2/20 0.44
MAP4K4 O95819 3/20 0.44
HRH3 Q9Y5N1 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
SCHEMBL4174527 0.88 MAP4K4 (0.58) AVPR1BCLK4USP2ALDH1A1CYP1A2
SCHEMBL4185564 0.88 CLK4 (0.56) CLK4USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL4168742 0.86 CD38 (0.49) CD38AVPR1BCLK4USP2ALDH1A1
SCHEMBL4654175 0.83 CD38 (0.47) CD38CLK4USP2ALDH1A1CYP1A2
SCHEMBL4183770 0.83 MAP4K4 (0.62) CLK4USP2ALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL4184206 0.82 CD38 (0.47) CD38CLK4USP2ALDH1A1CYP1A2
SCHEMBL4167322 0.82 MAP4K4 (0.61) CLK4USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL4185148 0.82 MAP4K4 (0.65) CD38CLK4USP2ALDH1A1CYP1A2
SCHEMBL4185474 0.82 MAP4K4 (0.62) CD38CLK4USP2ALDH1A1CYP1A2
SCHEMBL4167248 0.82 CLK4 (0.65) CLK4USP2ALDH1A1CYP1A2CYP3A4

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 CD38 3184/4885AVPR1B 564/4885CLK4 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.