SCHEMBL3637992

SCHEMBL3637992

Nc1ccc(-c2ccc(C(=O)NC3CC3)cc2Cl)nc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.48
CYP2C9 P11712 8/20 0.48
SMYD3 Q9H7B4 6/20 0.48
CNR1 P21554 1/20 0.43
RIPK2 O43353 1/20 0.43
MAPK11 Q15759 3/20 0.43
BUB1 O43683 1/20 0.42
PRKACG P22612 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
ACSL5 Q9ULC5 1/20 0.42
STK24 Q9Y6E0 1/20 0.42

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
SCHEMBL3636323 0.83 BAZ2B (0.45)
SCHEMBL3638019 0.80 ATR (0.54) MAPK14SMYD3
SCHEMBL3630292 0.79 SCN9A (0.52)
SCHEMBL3631738 0.77 HPGD (0.57) MAPK14CYP2C9MAPK11
SCHEMBL3635963 0.76 SCN9A (0.42)
SCHEMBL3634670 0.75 NPC1 (0.50) SMYD3
SCHEMBL3237045 0.73 PRKAB2 (0.50) SMYD3CNR1
SCHEMBL3637988 0.73 F2 (0.41) MAPK14SMYD3
SCHEMBL17436933 0.72 CCNC (0.58) MAPK14SMYD3
SCHEMBL3442327 0.71 RAB9A (0.62) MAPK14SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-23 US disclosed
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors VIA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 US disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 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 (4 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-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT MAPK14 1609/4885CYP2C9 1204/4885SMYD3 2781/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT MAPK14 1609/4885CYP2C9 1204/4885SMYD3 2781/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT MAPK14 1609/4885CYP2C9 1204/4885SMYD3 2781/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT MAPK14 1609/4885CYP2C9 1204/4885SMYD3 2781/4885

“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.