SCHEMBL2653313

SCHEMBL2653313

c1ccc(-c2cnc3ccncn23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.60
CHEK1 O14757 3/20 0.56
GSK3B P49841 1/20 0.56
FYN P06241 3/20 0.49
SRC P12931 4/20 0.48
FLT3 P36888 3/20 0.48
MAP4K4 O95819 1/20 0.46
CSF1R P07333 1/20 0.46
PRKACA P17612 1/20 0.46
CDK8 P49336 1/20 0.46
MAP2K1 Q02750 1/20 0.46
ACVR1 Q04771 1/20 0.46
MAP4K2 Q12851 1/20 0.46
ROCK1 Q13464 1/20 0.46
DYRK1A Q13627 1/20 0.46
AURKB Q96GD4 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
BACE1 P56817 1/20 0.45
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 1/20 0.44

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
SCHEMBL5248501 0.76 KDR (1.00) KDRCHEK1GSK3BFLT3
SCHEMBL5251631 0.76 KDR (1.00) KDRCHEK1GSK3BFLT3
SCHEMBL2650330 0.76 FLT3 (0.74) KDRCHEK1GSK3BFLT3MAP4K4
SCHEMBL111003 0.75 KDR (0.60) KDRCHEK1GSK3BFYNFLT3
SCHEMBL15757581 0.75 FLT3 (0.68) KDRCHEK1GSK3BFYNFLT3
SCHEMBL18237574 0.73 CYP11B1 (0.37) KDRCHEK1GSK3B
SCHEMBL15287989 0.73 KDR (0.57) KDRCHEK1GSK3BFYNFLT3
SCHEMBL5251591 0.71 KDR (1.00) KDRFLT3
SCHEMBL15756965 0.71 MAP3K14 (0.54) KDRCHEK1GSK3BFYNFLT3
SCHEMBL30217979 0.70 CHEK1 (0.51) KDRCHEK1GSK3BFYNFLT3

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-6914065-B2 Imidazo[1,2-C]pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. 2005-07-05 US disclosed
US-20040138236-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2004-07-15 US disclosed
WO-2002038569-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-16 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-20040138236-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABRA2, GABRA1 KDR 910/4885CHEK1 1223/4885GSK3B 1729/4885

“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.