SCHEMBL15428575

SCHEMBL15428575

Cn1nccc1N(c1ccn2ncc(C(=O)NC(C)(C)C)c2n1)[SH](=O)=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 15/20 0.43
JAK2 O60674 13/20 0.43
GAK O14976 1/20 0.43
STK17B O94768 1/20 0.43
CSNK2A1 P68400 1/20 0.43
BMP2K Q9NSY1 1/20 0.43
STK17A Q9UEE5 1/20 0.43
TYK2 P29597 2/20 0.37
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
LMNA P02545 1/20 0.36
PDE2A O00408 1/20 0.36

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
SCHEMBL15428595 0.81 SYK (0.45) NTRK1JAK2GAKSTK17BCSNK2A1
SCHEMBL15428669 0.80 NTRK1 (0.54) NTRK1JAK2TYK2
SCHEMBL15428709 0.79 EPHB3 (0.43) NTRK1JAK2LMNA
SCHEMBL15428578 0.79 NTRK1 (0.45) NTRK1JAK2TYK2LMNA
SCHEMBL403801 0.73 SYK (0.56) NTRK1JAK2GAKSTK17BCSNK2A1
SCHEMBL405924 0.72 JAK2 (0.52) NTRK1JAK2TYK2JAK1JAK3
SCHEMBL406041 0.72 JAK2 (0.40) NTRK1JAK2GAKSTK17BCSNK2A1
SCHEMBL19560130 0.68 JAK2 (0.59) NTRK1JAK2
SCHEMBL406662 0.68 NTRK1 (0.45) NTRK1JAK2GAKSTK17BCSNK2A1
SCHEMBL403308 0.67 JAK2 (0.44) NTRK1JAK2LMNA

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-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 US disclosed
EP-2962566-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2016-01-06 EP disclosed
EP-2348860-B1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH INC (US) 2015-05-27 EP disclosed
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-04-17 US disclosed
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 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-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885JAK2 1/4885GAK 230/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885JAK2 1/4885GAK 230/4885

“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.