SCHEMBL406237

SCHEMBL406237

CN(c1cccnc1)c1ccn2ncc(C(=O)NCC3CCCCCC3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.45
JAK2 O60674 2/20 0.45
CNR1 P21554 5/20 0.42
CNR2 P34972 4/20 0.42
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
IRAK4 Q9NWZ3 3/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL405447 1.00 NTRK1 (0.45) NTRK1JAK2CNR1CNR2PIM1
SCHEMBL401205 0.91 NTRK1 (0.44) NTRK1JAK2PIM1PIM3PIM2
SCHEMBL406886 0.91 NTRK1 (0.41) NTRK1JAK2CNR1CNR2PIM1
SCHEMBL15428577 0.91 NTRK1 (0.43) NTRK1JAK2PIM1PIM3PIM2
SCHEMBL404513 0.87 NTRK1 (0.51) NTRK1JAK2IRAK4ALDH1A1KDM4E
SCHEMBL401999 0.87 NTRK1 (0.51) NTRK1JAK2IRAK4ALDH1A1KDM4E
SCHEMBL401948 0.87 NTRK1 (0.51) NTRK1JAK2IRAK4ALDH1A1KDM4E
SCHEMBL401721 0.86 NTRK1 (0.51) NTRK1JAK2IRAK4ALDH1A1KDM4E
SCHEMBL405971 0.84 NTRK1 (0.51) NTRK1JAK2KDM4EHSD17B10
SCHEMBL403723 0.84 NTRK1 (0.46) NTRK1JAK2CNR1CNR2IRAK4

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 1/4885CNR1 2065/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885JAK2 1/4885CNR1 2065/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885JAK2 1/4885CNR1 2065/4885

“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.