SCHEMBL3179929

SCHEMBL3179929

CC(=O)NCCNc1nc(NCc2ccc(F)cc2)ncc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
JAK3 P52333 2/20 0.43
AXL P30530 1/20 0.42
TYRO3 Q06418 1/20 0.42
MERTK Q12866 1/20 0.42
VNN1 O95497 5/20 0.42
PTK2 Q05397 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
CFTR P13569 1/20 0.41
PRKCQ Q04759 1/20 0.40
STK17A Q9UEE5 1/20 0.40
P4HTM Q9NXG6 1/20 0.40
STAT6 P42226 1/20 0.39
MAPT P10636 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
SCHEMBL3186194 0.89 VNN1 (0.46) JAK3VNN1PTK2HDAC3HDAC1
SCHEMBL3187807 0.88 SIRT5 (0.49) VNN1HDAC3HDAC1HDAC2SIRT5
SCHEMBL3191032 0.88 VNN1 (0.43) VNN1HDAC3HDAC1HDAC2MAPK8
SCHEMBL3192248 0.87 NTRK1 (0.48) JAK3PTK2PRKCQSTAT6
SCHEMBL3192454 0.85 HDAC3 (0.41) JAK3HDAC3HDAC1HDAC2MAPK8
SCHEMBL3189750 0.85 HDAC3 (0.51) HDAC3HDAC1HDAC2STK17ASTAT6
SCHEMBL3190916 0.84 SCD (0.48) MAPK8MAPK9STK17ASTAT6
SCHEMBL3180778 0.83 PRKCQ (0.58) SIRT5PRKCQSTK17AMAPT
SCHEMBL3190029 0.81 HDAC3 (0.49) JAK3TYRO3VNN1PTK2HDAC3
SCHEMBL3282498 0.74 CYP3A4 (0.53) VNN1PTK2SIRT5

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
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
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

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 IKBKB 1656/4885CHUK 523/4885JAK3 4635/4885
US-20080249100-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, COASY IKBKB 1656/4885CHUK 523/4885JAK3 4635/4885

“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.