SCHEMBL402074

SCHEMBL402074

CN(c1cccnc1)c1ccn2ncc(C(=O)Nc3ccc(C4CCCCC4)cc3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.46
IRAK4 Q9NWZ3 12/20 0.45
HTT P42858 2/20 0.43
KDR P35968 1/20 0.43
JAK2 O60674 1/20 0.42
NTRK1 P04629 1/20 0.42
NR3C1 P04150 2/20 0.41
MAPK1 P28482 1/20 0.39

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
SCHEMBL401813 0.86 HTT (0.49) NAMPTIRAK4HTTJAK2NTRK1
SCHEMBL403236 0.86 HTT (0.53) NAMPTIRAK4HTTJAK2NTRK1
SCHEMBL404915 0.85 HTT (0.48) IRAK4HTTJAK2NTRK1
SCHEMBL405379 0.85 HTT (0.48) NAMPTIRAK4HTTJAK2NR3C1
SCHEMBL404422 0.85 HTT (0.60) NAMPTHTTJAK2NTRK1MAPK1
SCHEMBL401999 0.84 NTRK1 (0.51) IRAK4JAK2NTRK1
SCHEMBL401948 0.84 NTRK1 (0.51) IRAK4JAK2NTRK1
SCHEMBL404513 0.84 NTRK1 (0.51) IRAK4JAK2NTRK1
SCHEMBL403827 0.84 HTT (0.47) NAMPTIRAK4HTTJAK2
SCHEMBL404511 0.84 HTT (0.47) IRAK4HTT

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 NAMPT 3785/4885IRAK4 9/4885HTT 4391/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NAMPT 3785/4885IRAK4 9/4885HTT 4391/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NAMPT 3785/4885IRAK4 9/4885HTT 4391/4885

“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.