SCHEMBL404689

SCHEMBL404689

CN(c1cccnc1)c1ccn2ncc(C(=O)NC(C)(C)CO)c2n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.46
NTRK1 P04629 10/20 0.45
JAK2 O60674 7/20 0.45
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
HTT P42858 1/20 0.39
TGFBR1 P36897 2/20 0.39
TGFBR2 P37173 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL403801 0.90 SYK (0.56) SYKNTRK1JAK2HTTTGFBR1
SCHEMBL406323 0.85 NTRK1 (0.43) SYKNTRK1JAK2HTTTGFBR1
SCHEMBL403926 0.84 SYK (0.41) SYKNTRK1JAK2HTTTGFBR1
SCHEMBL402142 0.82 NTRK1 (0.43) SYKNTRK1JAK2HTTTGFBR1
SCHEMBL404422 0.82 HTT (0.60) NTRK1JAK2HTTKDM4EALDH1A1
SCHEMBL405420 0.82 ALDH1A1 (0.41) SYKNTRK1JAK2HTTTGFBR1
SCHEMBL401813 0.82 HTT (0.49) SYKNTRK1JAK2HTTIRAK4
SCHEMBL405633 0.82 PDE2A (0.44) SYKNTRK1JAK2HTTTGFBR1
SCHEMBL403236 0.82 HTT (0.53) NTRK1JAK2HTTIRAK4ALDH1A1
SCHEMBL405047 0.81 TP53 (0.41) SYKNTRK1HTTKDM4EALDH1A1

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 SYK 26/4885NTRK1 2693/4885JAK2 1/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 SYK 26/4885NTRK1 2693/4885JAK2 1/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 SYK 26/4885NTRK1 2693/4885JAK2 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.