SCHEMBL2655829

SCHEMBL2655829

CC1(C)COB(c2csc(-c3cccnc3)c2)OC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 11/20 0.54
DYRK1B Q9Y463 7/20 0.54
DYRK2 Q92630 1/20 0.44
CYP3A4 P08684 5/20 0.39
CYP2A6 P11509 5/20 0.39
CYP2E1 P05181 4/20 0.39
CYP2C9 P11712 4/20 0.39
CYP2B6 P20813 4/20 0.39
CLK1 P49759 1/20 0.38
HASPIN Q8TF76 1/20 0.38
SNCA P37840 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP19A1 P11511 1/20 0.35
AXL P30530 1/20 0.35
PBRM1 Q86U86 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35

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
SCHEMBL2658270 0.80 MEN1 (0.44) DYRK1ADYRK1BCYP3A4CYP2A6ALDH1A1
SCHEMBL13188238 0.79 CYP2A6 (0.46) DYRK1ADYRK1BCYP3A4CYP2A6CYP2C9
SCHEMBL4078174 0.77 MAPT (0.36) CYP3A4CYP2A6SNCAALDH1A1CYP1A2
SCHEMBL6217350 0.75 CYP2A6 (0.40) DYRK1ACYP3A4CYP2A6CYP2E1CYP2C9
SCHEMBL2650049 0.75 CYP11B1 (0.40) DYRK1ADYRK1BCYP3A4CYP2A6ALDH1A1
SCHEMBL2659261 0.74 CYP11B2 (0.39) CYP3A4CYP2A6SNCACYP19A1MKNK1
SCHEMBL6220588 0.73 CYP11B1 (0.45) CYP3A4SNCACYP19A1MKNK1MKNK2
SCHEMBL16815377 0.70 SNCA (0.35) SNCA
SCHEMBL13187764 0.69 SNCA (0.45) CYP3A4SNCACYP2D6
SCHEMBL17546562 0.69 DYRK1A (0.68) DYRK1ADYRK1BDYRK2CYP3A4CYP2A6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383768-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-09-06 EP disclosed
US-7030128-B2 Central nervous system disorders; anxiolytic agents; anticonvulsants; cognition activators; side effect reduction MERCK SHARP & DOHME LTD. (GB) 2006-04-18 US disclosed
US-20040092533-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2004-05-13 US disclosed
EP-1383768-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2004-01-28 EP disclosed
WO-2002076983-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-10-03 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-20040092533-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABRA1, GABRA4 DYRK1A 920/4885DYRK1B 1338/4885DYRK2 1261/4885

“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.