SCHEMBL1967033

SCHEMBL1967033

N#Cc1cnc(-c2cn(Cc3cc(Cl)c(Cl)c(Cl)c3)nn2)nc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.47
MAPT P10636 1/20 0.39
IRAK4 Q9NWZ3 3/20 0.38
NR1I3 Q14994 1/20 0.37

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
SCHEMBL1970393 0.77 MAPT (0.41) CYP19A1MAPTNR1I3
SCHEMBL1970677 0.76 KDM4C (0.40) CYP19A1
SCHEMBL1968025 0.76 CYP19A1 (0.42) CYP19A1
SCHEMBL1967187 0.74 CYP19A1 (0.38) CYP19A1
SCHEMBL1989322 0.72 SCD (0.57)
SCHEMBL12563313 0.72 SCD (0.47) MAPT
SCHEMBL1969495 0.69 KDM4E (0.46)
SCHEMBL1967731 0.68 NOTUM (0.38) CYP19A1
SCHEMBL12408950 0.68 NPC1 (0.39) CYP19A1
SCHEMBL1987880 0.66 SCD (0.41) MAPTNR1I3

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 CYP19A1 264/4885MAPT 2863/4885IRAK4 3802/4885

“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.