SCHEMBL2651346

SCHEMBL2651346

CC1(C)COB(c2ccc(F)c(-c3cnccc3C(N)=O)c2)OC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 7/20 0.38
TGFBR1 P36897 1/20 0.36
CYP11B2 P19099 2/20 0.35
SIRT3 Q9NTG7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
CCNC P24863 3/20 0.33
CDK8 P49336 3/20 0.33
HASPIN Q8TF76 3/20 0.33
SLC22A12 Q96S37 1/20 0.32
MKNK1 Q9BUB5 3/20 0.32
MKNK2 Q9HBH9 3/20 0.32
GRM2 Q14416 1/20 0.31
CDK19 Q9BWU1 1/20 0.31

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
SCHEMBL6219095 0.85 SNCA (0.34)
SCHEMBL2659991 0.75 NPC1 (0.38) CYP11B2
SCHEMBL3084520 0.72 GRM2 (0.34) GRM2
SCHEMBL2826683 0.71 CHUK (0.37)
SCHEMBL2650596 0.69 LPL (0.43)
SCHEMBL20615766 0.69 LPL (0.43)
SCHEMBL2658079 0.69 ERN1 (0.42) MKNK1MKNK2
SCHEMBL2651616 0.68 LPL (0.42) CDC7
SCHEMBL6217350 0.68 CYP2A6 (0.40) CYP11B2MKNK1MKNK2
SCHEMBL2659261 0.67 CYP11B2 (0.39) CYP11B2MKNK1MKNK2

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-1381606-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-07-20 EP disclosed
US-6900215-B2 For therapy of disorders of central nervous system, including anxiety, convulsions and cognitive disorders MERCK SHARP & DOHME LTD. (GB) 2005-05-31 US disclosed
EP-1381606-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2004-01-21 EP disclosed
US-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME (UK) LIMITED (GB) 2002-12-19 US disclosed
WO-2002074773-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-09-26 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-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABRA1, GABRA2 CDC7 3988/4885TGFBR1 431/4885CYP11B2 952/4885

“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.