SCHEMBL4185564

SCHEMBL4185564

CC(C)(C)CNc1ncnc2ccc(-c3cccc(CN4CCCC4)c3)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 15/20 0.56
CLK1 P49759 2/20 0.56
CLK2 P49760 2/20 0.56
DYRK1A Q13627 2/20 0.56
DYRK1B Q9Y463 2/20 0.56
CLK3 P49761 1/20 0.56
CYP1A2 P05177 9/20 0.48
CYP3A4 P08684 8/20 0.48
ALDH1A1 P00352 8/20 0.48
USP2 O75604 7/20 0.48
CYP2D6 P10635 6/20 0.48
HSD17B10 Q99714 5/20 0.48
LMNA P02545 5/20 0.48
TSHR P16473 5/20 0.48
MAPK1 P28482 5/20 0.48
HIF1A Q16665 4/20 0.48
MEN1 O00255 4/20 0.48
CYP2C19 P33261 4/20 0.48
KMT2A Q03164 4/20 0.48
CYP2C9 P11712 4/20 0.48

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
SCHEMBL4178036 0.88 CD38 (0.49) CLK4CYP1A2CYP3A4ALDH1A1USP2
SCHEMBL4174527 0.86 MAP4K4 (0.58) CLK4CYP1A2CYP3A4ALDH1A1USP2
SCHEMBL4168742 0.84 CD38 (0.49) CLK4CYP1A2CYP3A4ALDH1A1USP2
SCHEMBL4176493 0.84 CLK4 (0.54) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL4167248 0.84 CLK4 (0.65) CLK4CYP1A2CYP3A4ALDH1A1USP2
SCHEMBL4183770 0.81 MAP4K4 (0.62) CLK4CYP1A2CYP3A4ALDH1A1USP2
SCHEMBL4167322 0.80 MAP4K4 (0.61) CLK4CYP1A2CYP3A4ALDH1A1USP2
SCHEMBL4185148 0.80 MAP4K4 (0.65) CLK4CYP1A2CYP3A4ALDH1A1USP2
SCHEMBL4185474 0.80 MAP4K4 (0.62) CLK4CYP1A2CYP3A4ALDH1A1USP2
SCHEMBL4188366 0.78 CYP1A2 (0.56) CLK4CYP1A2CYP3A4ALDH1A1USP2

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 CLK4 3820/4885CLK1 3870/4885CLK2 2926/4885

“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.