SCHEMBL5103159

SCHEMBL5103159

Nc1c[nH]nc1-c1nc2c([nH]1)CCN(CCF)C2

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 3/20 0.32
FASN P49327 3/20 0.31
JAK3 P52333 3/20 0.31
JAK1 P23458 1/20 0.30

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
SCHEMBL5113128 0.86 KDM4E (0.40)
SCHEMBL5111838 0.85 TYK2 (0.33) TYK2JAK3
SCHEMBL5099474 0.76 MEN1 (0.39) TYK2JAK3JAK1
SCHEMBL8272382 0.71 ACHE (0.35) FASN
SCHEMBL5106186 0.70 PDCD1 (0.32)
SCHEMBL5103157 0.68 FASN (0.33) FASN
SCHEMBL5103065 0.66 RBP4 (0.40) TYK2JAK3
SCHEMBL22235779 0.64 GRIA1 (0.37) TYK2JAK3JAK1
SCHEMBL5106326 0.64 HTR1F (0.40) JAK3JAK1
SCHEMBL22258595 0.61 JAK1 (0.35) TYK2FASNJAK3JAK1

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-20080004270-A1 3,4-Disubstituted Pyrazoles as Cyclin Dependent Kinases (Cdk) or Aurora Kinase or Glycogen Synthase 3 (Gsk-3) Inhibitors ASTEX THERAPEUTICS LIMITED (UK) 2008-01-03 US disclosed
EP-1781653-A1 3,4-DISUBSTITUTED PYRAZOLES AS CYCLIN DEPENDENT KINASES (CDK) OR AURORA KINASE OR GLYCOGEN SYNTHASE 3 (GSK-3) INHIBITORS Astex Therapeutics Limited (GB) 2007-05-09 EP disclosed
WO-2006003440-A1 3,4-DISUBSTITUTED PYRAZOLES AS CYCLIN DEPENDENT KINASES (CDK) OR AURORA KINASE OR GLYCOGEN SYNTHASE 3 (GSK-3) INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-01-12 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-20080004270-A1 3,4-Disubstituted Pyrazoles as Cyclin Dependent Kinases (Cdk) or Aurora Kinase or Glycogen Synthase 3 (Gsk-3) Inhibitors CDK3, CDK1, GSK3B TYK2 425/4885FASN 3072/4885JAK3 169/4885

“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.