SCHEMBL3192248

SCHEMBL3192248

CC(=O)NCCNc1nc(NCc2cccc(F)c2)ncc1N

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 10/20 0.48
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
JAK3 P52333 1/20 0.46
PTK2 Q05397 1/20 0.45
PRKCQ Q04759 1/20 0.44
STAT6 P42226 1/20 0.43
BRAF P15056 1/20 0.43
MAPK1 P28482 1/20 0.42
NTRK3 Q16288 1/20 0.42
NTRK2 Q16620 1/20 0.42
APP P05067 1/20 0.42
RPS6KB1 P23443 2/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41

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
SCHEMBL3190029 0.88 HDAC3 (0.49) JAK2JAK1JAK3PTK2PRKCQ
SCHEMBL3179929 0.87 IKBKB (0.44) JAK3PTK2PRKCQSTAT6
SCHEMBL3187807 0.87 SIRT5 (0.49) STAT6APP
SCHEMBL3191032 0.86 VNN1 (0.43) RPS6KB1AURKA
SCHEMBL3182583 0.84 PRKCQ (0.61) NTRK1PRKCQ
SCHEMBL3192454 0.84 HDAC3 (0.41) NTRK1JAK3STAT6MAPK1
SCHEMBL3189750 0.84 HDAC3 (0.51) NTRK1STAT6BRAFMAPK1
SCHEMBL3190916 0.82 SCD (0.48) STAT6RPS6KB1AURKA
SCHEMBL4385162 0.81 NTRK1 (0.49) NTRK1JAK2JAK1JAK3PTK2
SCHEMBL3186194 0.81 VNN1 (0.46) JAK3PTK2PRKCQ

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 2 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

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-20100113463-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, COASY NTRK1 4852/4885JAK2 4357/4885JAK1 4461/4885

“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.