SCHEMBL406323

SCHEMBL406323

CN(c1cccnc1)c1ccn2ncc(C(=O)NCCO)c2n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 9/20 0.43
JAK2 O60674 5/20 0.43
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 2/20 0.41
IRAK4 Q9NWZ3 4/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
SYK P43405 1/20 0.39
LMNA P02545 1/20 0.39
TGFBR1 P36897 2/20 0.38

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
SCHEMBL401642 0.90 NTRK1 (0.44) NTRK1JAK2ALDH1A1HSD17B10KDM4E
SCHEMBL405047 0.90 TP53 (0.41) NTRK1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL403926 0.90 SYK (0.41) NTRK1JAK2ALDH1A1HSD17B10KDM4E
SCHEMBL399825 0.89 TP53 (0.40) NTRK1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL405420 0.87 ALDH1A1 (0.41) NTRK1JAK2ALDH1A1HSD17B10KDM4E
SCHEMBL405579 0.87 ALDH1A1 (0.54) NTRK1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL402580 0.86 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4EIRAK4HPGD
SCHEMBL404689 0.85 SYK (0.46) NTRK1JAK2ALDH1A1HSD17B10KDM4E
SCHEMBL404760 0.84 NTRK1 (0.55) NTRK1JAK2HSD17B10KDM4ETGFBR1
SCHEMBL405447 0.84 NTRK1 (0.45) NTRK1JAK2ALDH1A1HSD17B10KDM4E

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.