SCHEMBL403751

SCHEMBL403751

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.48
SMPD3 Q9NY59 2/20 0.40
IRAK4 Q9NWZ3 7/20 0.40
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 1/20 0.40
SYK P43405 1/20 0.39
HTT P42858 1/20 0.38
RET P07949 1/20 0.38
JAK2 O60674 3/20 0.38
NTRK1 P04629 3/20 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
SCHEMBL403827 0.85 HTT (0.47) IRAK4HTTRETJAK2
SCHEMBL402142 0.84 NTRK1 (0.43) TGFBR1IRAK4SYKHTTJAK2
SCHEMBL404422 0.84 HTT (0.60) HTTJAK2NTRK1
SCHEMBL403801 0.84 SYK (0.56) TGFBR1IRAK4SYKHTTJAK2
SCHEMBL403236 0.83 HTT (0.53) IRAK4HTTJAK2NTRK1
SCHEMBL405511 0.83 NPC1 (0.48) IRAK4HTTJAK2
SCHEMBL406323 0.82 NTRK1 (0.43) TGFBR1IRAK4SYKHTTJAK2
SCHEMBL404760 0.82 NTRK1 (0.55) TGFBR1JAK2NTRK1
SCHEMBL405633 0.81 PDE2A (0.44) TGFBR1SYKHTTJAK2NTRK1
SCHEMBL401813 0.81 HTT (0.49) IRAK4SYKHTTJAK2NTRK1

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 TGFBR1 1184/4885SMPD3 3709/4885IRAK4 9/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 TGFBR1 1184/4885SMPD3 3709/4885IRAK4 9/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 TGFBR1 1184/4885SMPD3 3709/4885IRAK4 9/4885

“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.