SCHEMBL3190916

SCHEMBL3190916

CC(=O)NCCNc1nc(NCc2ccc(Cl)c(Cl)c2)ncc1N

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD O00767 9/20 0.48
GLP1R P43220 1/20 0.43
TSHR P16473 1/20 0.41
STAT6 P42226 3/20 0.41
CD38 P28907 1/20 0.41
STK17A Q9UEE5 2/20 0.41
STK17B O94768 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39

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
SCHEMBL3189750 0.91 HDAC3 (0.51) SCDGLP1RSTAT6STK17ASTK17B
SCHEMBL3192454 0.91 HDAC3 (0.41) SCDGLP1RSTAT6STK17ASTK17B
SCHEMBL3186194 0.88 VNN1 (0.46) STK17ASTK17BMAPK8MAPK9
SCHEMBL3190029 0.86 HDAC3 (0.49) SCDSTAT6CD38RPS6KB1
SCHEMBL3171713 0.86 STK17B (0.47) SCDTSHRSTAT6CD38STK17A
SCHEMBL3191032 0.85 VNN1 (0.43) MAPK8MAPK9AURKARPS6KB1
SCHEMBL3182040 0.85 SCD (0.47) SCDSTAT6CD38STK17ASTK17B
SCHEMBL1917348 0.85 PTK2 (0.48) SCDTSHRSTK17A
SCHEMBL3179929 0.84 IKBKB (0.44) STAT6STK17AMAPK8MAPK9
SCHEMBL3187807 0.83 SIRT5 (0.49) TSHRSTAT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113463-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. (US) 2010-05-06 US disclosed
US-20100113463-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. (US) 2010-05-06 US disclosed
US-20100113463-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. (US) 2010-05-06 US disclosed
US-7662819-B2 Pteridinone derivatives for use as stearoyl CoA desaturase inhibitors GILEAD PALO ALTO, INC. (US) 2010-02-16 US disclosed
US-7662819-B2 Pteridinone derivatives for use as stearoyl CoA desaturase inhibitors GILEAD PALO ALTO, INC. (US) 2010-02-16 US disclosed
US-7662819-B2 Pteridinone derivatives for use as stearoyl CoA desaturase inhibitors GILEAD PALO ALTO, INC. (US) 2010-02-16 US disclosed
EP-2131844-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS CV Therapeutics Inc. (US) 2009-12-16 EP disclosed
WO-2008123891-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS CV THERAPEUTICS, INC. (US) 2008-10-16 WO disclosed
US-20080249100-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS LIGAND PHARMACEUTICALS INCORPORATED 2008-10-09 US disclosed
US-20080249100-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS LIGAND PHARMACEUTICALS INCORPORATED 2008-10-09 US disclosed
US-20080249100-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS LIGAND PHARMACEUTICALS INCORPORATED 2008-10-09 US 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 (2 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-20100113463-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, COASY SCD 1/4885GLP1R 1110/4885TSHR 4229/4885
US-20080249100-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, COASY SCD 1/4885GLP1R 1110/4885TSHR 4229/4885

“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.