SCHEMBL403470

SCHEMBL403470

CN1CCN(c2cccc(CNc3ccn4ncc(C(=O)Nc5ccccc5)c4n3)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.50
LRRK2 Q5S007 2/20 0.46
FLT3 P36888 2/20 0.45
RET P07949 1/20 0.44
IRAK4 Q9NWZ3 2/20 0.44
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
JAK3 P52333 4/20 0.43
HRH4 Q9H3N8 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCNA1 P78396 1/20 0.43
JAK2 O60674 4/20 0.43
PTK2 Q05397 2/20 0.43
HTR6 P50406 1/20 0.42
EGFR P00533 1/20 0.42

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
SCHEMBL405385 0.92 NTRK1 (0.52) NTRK1LRRK2FLT3RETIRAK4
SCHEMBL406562 0.87 NTRK1 (0.52) NTRK1FLT3IRAK4PIM1JAK3
SCHEMBL403469 0.85 NTRK1 (0.62) NTRK1FLT3IRAK4PIM1JAK3
SCHEMBL404825 0.84 NTRK1 (0.54) NTRK1RETIRAK4PIM1PIM3
SCHEMBL405119 0.84 IRAK4 (0.46) IRAK4PIM1PIM3PIM2
SCHEMBL406018 0.84 PIM1 (0.54) NTRK1RETIRAK4PIM1PIM3
SCHEMBL405544 0.83 NTRK1 (0.54) NTRK1RETIRAK4PIM1PIM3
SCHEMBL16460685 0.82 RAB9A (0.54) NTRK1RETIRAK4PIM1PIM3
SCHEMBL403243 0.82 NTRK1 (0.68) NTRK1RETPIM1PIM3PIM2
SCHEMBL406191 0.82 NTRK1 (0.51) NTRK1LRRK2RETIRAK4PIM1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 2693/4885LRRK2 768/4885FLT3 16/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885LRRK2 768/4885FLT3 16/4885

“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.