SCHEMBL1970393

SCHEMBL1970393

N#Cc1cnc(-c2cn(Cc3cc(Cl)c(Cl)c(Cl)c3)nn2)s1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
CYP19A1 P11511 4/20 0.39
GSK3B P49841 3/20 0.34
ROCK2 O75116 2/20 0.34
PIM1 P11309 2/20 0.34
AURKB Q96GD4 2/20 0.34
FLT3 P36888 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
NR1I3 Q14994 1/20 0.33
KDR P35968 3/20 0.33
TEK Q02763 2/20 0.33
EPHB4 P54760 1/20 0.33

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
SCHEMBL1987880 0.77 SCD (0.41) MAPTEGLN1NR1I3
SCHEMBL1967033 0.77 CYP19A1 (0.47) MAPTCYP19A1NR1I3
SCHEMBL1969887 0.77 GSK3B (0.36) MAPTCYP19A1GSK3BROCK2PIM1
SCHEMBL1990584 0.75 CD74 (0.41) MAPTEGLN1
SCHEMBL1968025 0.73 CYP19A1 (0.42) CYP19A1
SCHEMBL1978454 0.71 KDM4E (0.40) MAPTEGLN1
SCHEMBL1985654 0.68 EGLN1 (0.35) EGLN1
SCHEMBL2181543 0.68 ROCK2 (0.37) GSK3BROCK2PIM1AURKBEGLN1
SCHEMBL1986297 0.67 SCD (0.41) EGLN1KDRTEKEPHB4
SCHEMBL1967187 0.67 CYP19A1 (0.38) CYP19A1

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-20110152295-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2011-06-23 US disclosed
EP-2334666-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Canada Inc. (CA) 2011-06-22 EP disclosed
WO-2010025553-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-03-11 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-20110152295-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 MAPT 2863/4885CYP19A1 264/4885GSK3B 539/4885

“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.