SCHEMBL401642

SCHEMBL401642

COCCNC(=O)c1cnn2ccc(N(C)c3cccnc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.44
JAK2 O60674 2/20 0.44
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.38
SYK P43405 1/20 0.38
PDE2A O00408 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 1/20 0.38
FGFR4 P22455 1/20 0.37
IRAK1 P51617 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL406323 0.90 NTRK1 (0.43) NTRK1JAK2ALDH1A1KDM4EHSD17B10
SCHEMBL405047 0.89 TP53 (0.41) NTRK1ALDH1A1KDM4EHSD17B10POLB
SCHEMBL403926 0.88 SYK (0.41) NTRK1JAK2ALDH1A1KDM4EHSD17B10
SCHEMBL399825 0.87 TP53 (0.40) NTRK1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL405420 0.86 ALDH1A1 (0.41) NTRK1JAK2ALDH1A1KDM4EHSD17B10
SCHEMBL405579 0.85 ALDH1A1 (0.54) NTRK1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL402142 0.84 NTRK1 (0.43) NTRK1JAK2HTTSYKPDE2A
SCHEMBL402580 0.84 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10POLBHPGD
SCHEMBL404760 0.83 NTRK1 (0.55) NTRK1JAK2KDM4EHSD17B10
SCHEMBL406237 0.83 NTRK1 (0.45) NTRK1JAK2ALDH1A1KDM4EHSD17B10

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 6 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
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 1/4885ALDH1A1 1236/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885JAK2 1/4885ALDH1A1 1236/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885JAK2 1/4885ALDH1A1 1236/4885

“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.