SCHEMBL402309

SCHEMBL402309

COc1ccccc1CNc1ccn2ncc(C(=O)NC3CCC(F)(F)CC3)c2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 11/20 0.56
FLT3 P36888 1/20 0.48
JAK2 O60674 6/20 0.47
JAK1 P23458 2/20 0.47
TYK2 P29597 2/20 0.47
JAK3 P52333 2/20 0.47
CHEK1 O14757 1/20 0.46
IKBKB O14920 1/20 0.46
AURKA O14965 1/20 0.46
PAK4 O96013 1/20 0.46
CHEK2 O96017 1/20 0.46
ABL1 P00519 1/20 0.46
EGFR P00533 1/20 0.46
INSR P06213 1/20 0.46
LCK P06239 1/20 0.46
FGFR1 P11362 1/20 0.46
SELP P16109 1/20 0.46
CSNK2A2 P19784 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46

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
SCHEMBL403282 0.89 NTRK1 (0.55) NTRK1JAK2JAK1TYK2JAK3
SCHEMBL405833 0.86 NTRK1 (0.54) NTRK1JAK2JAK1TYK2JAK3
SCHEMBL405453 0.85 NTRK1 (0.61) NTRK1JAK2
SCHEMBL16460759 0.83 NTRK1 (0.50) NTRK1FLT3JAK2JAK1TYK2
SCHEMBL406310 0.83 NTRK1 (0.57) NTRK1FLT3JAK2JAK1TYK2
SCHEMBL403630 0.82 FLT3 (0.49) NTRK1FLT3CYP3A4IRAK4RECQL
SCHEMBL406088 0.82 NTRK1 (0.55) NTRK1JAK2JAK1TYK2JAK3
SCHEMBL405514 0.82 NTRK1 (0.56) NTRK1FLT3JAK2JAK1TYK2
SCHEMBL403903 0.81 NTRK1 (0.54) NTRK1FLT3JAK2JAK1TYK2
SCHEMBL401697 0.81 NTRK1 (0.54) NTRK1FLT3JAK2JAK1TYK2

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 15 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
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 US disclosed
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
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-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
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 US disclosed
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 US disclosed
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 US disclosed
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 US disclosed
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 US disclosed
WO-2010051549-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-05-06 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 (3 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-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885FLT3 16/4885JAK2 1/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885FLT3 16/4885JAK2 1/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885FLT3 16/4885JAK2 1/4885

“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.