SCHEMBL405061

SCHEMBL405061

COc1ccccc1Nc1ccn2ncc(C(=O)NC3CCCCC3)c2n1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.62
ALDH1A1 P00352 1/20 0.60
HPGD P15428 1/20 0.60
TSHR P16473 1/20 0.60
TYK2 P29597 6/20 0.53
JAK2 O60674 2/20 0.53
JAK1 P23458 2/20 0.53
JAK3 P52333 2/20 0.53
IRAK4 Q9NWZ3 3/20 0.52
STAT3 P40763 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NTRK1 P04629 1/20 0.50
PDE4D Q08499 1/20 0.49

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
SCHEMBL401726 0.84 FLT3 (0.56) FLT3TYK2JAK2IRAK4STAT3
SCHEMBL402226 0.84 JAK2 (0.58) FLT3ALDH1A1TYK2JAK2JAK1
SCHEMBL402453 0.82 TGFBR1 (0.56) ALDH1A1HPGDTYK2JAK2JAK1
SCHEMBL404686 0.82 TYK2 (0.55) TYK2JAK2JAK1JAK3IRAK4
SCHEMBL406310 0.82 NTRK1 (0.57) FLT3TYK2JAK2JAK1JAK3
SCHEMBL405062 0.81 IRAK4 (0.58) FLT3ALDH1A1TYK2JAK2JAK1
SCHEMBL402064 0.81 IRAK4 (0.49) FLT3ALDH1A1TYK2JAK2JAK1
SCHEMBL406168 0.81 ALDH1A1 (0.52) FLT3ALDH1A1HPGDTYK2JAK2
SCHEMBL406028 0.81 IRAK4 (0.70) FLT3ALDH1A1TYK2JAK2JAK1
SCHEMBL403712 0.80 NTRK1 (0.64) FLT3ALDH1A1HPGDTYK2JAK2

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 16 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-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 FLT3 16/4885ALDH1A1 1236/4885HPGD 2251/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 FLT3 16/4885ALDH1A1 1236/4885HPGD 2251/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 FLT3 16/4885ALDH1A1 1236/4885HPGD 2251/4885

“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.