SCHEMBL403903

SCHEMBL403903

O=C(NC1CCCCC1)c1cnn2ccc(NCc3ccccc3OC(F)F)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.54
JAK2 O60674 5/20 0.48
TYK2 P29597 3/20 0.48
JAK1 P23458 2/20 0.48
JAK3 P52333 2/20 0.48
FLT3 P36888 1/20 0.45
IRAK4 Q9NWZ3 6/20 0.45
CHEK1 O14757 1/20 0.43
IKBKB O14920 1/20 0.43
AURKA O14965 1/20 0.43
PAK4 O96013 1/20 0.43
CHEK2 O96017 1/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
INSR P06213 1/20 0.43
LCK P06239 1/20 0.43
FGFR1 P11362 1/20 0.43
SELP P16109 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CCNA2 P20248 1/20 0.43

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
SCHEMBL401697 0.88 NTRK1 (0.54) NTRK1JAK2TYK2JAK1JAK3
SCHEMBL405514 0.87 NTRK1 (0.56) NTRK1JAK2TYK2JAK1JAK3
SCHEMBL402196 0.86 NTRK1 (0.61) NTRK1JAK2TYK2JAK1JAK3
SCHEMBL407023 0.85 NTRK1 (0.57) NTRK1JAK2TYK2JAK1JAK3
SCHEMBL403980 0.84 NTRK1 (0.56) NTRK1JAK2TYK2JAK1JAK3
SCHEMBL10191241 0.84 NTRK1 (0.56) NTRK1JAK2TYK2JAK1JAK3
SCHEMBL403904 0.84 JAK2 (0.44) NTRK1JAK2TYK2JAK1JAK3
SCHEMBL406310 0.83 NTRK1 (0.57) NTRK1JAK2TYK2JAK1JAK3
SCHEMBL401712 0.83 NTRK1 (0.61) NTRK1JAK2TYK2JAK1JAK3
SCHEMBL406017 0.82 NTRK1 (0.67) NTRK1JAK2TYK2JAK1JAK3

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 10 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
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-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 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 (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 2693/4885JAK2 1/4885TYK2 18/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885JAK2 1/4885TYK2 18/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885JAK2 1/4885TYK2 18/4885

“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.