SCHEMBL407005

SCHEMBL407005

CC(C)NC(=O)c1cnn2ccc(N(C)c3ccccn3)nc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.45
NTRK1 P04629 4/20 0.45
IRAK4 Q9NWZ3 7/20 0.43
PDE2A O00408 4/20 0.43
LMNA P02545 3/20 0.43
TGFBR1 P36897 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CG P48736 1/20 0.40
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 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
SCHEMBL403950 0.83 NTRK1 (0.44) JAK2NTRK1PDE2A
SCHEMBL402142 0.82 NTRK1 (0.43) JAK2NTRK1IRAK4PDE2ATGFBR1
SCHEMBL405025 0.76 NTRK1 (0.42) JAK2NTRK1PDE2A
SCHEMBL18717545 0.76 PDE2A (0.61) IRAK4PDE2ALMNAALDH1A1HPGD
SCHEMBL407006 0.76 RET (0.58) JAK2NTRK1IRAK4PDE2ALMNA
SCHEMBL406351 0.75 NTRK1 (0.41) JAK2NTRK1PDE2A
SCHEMBL402097 0.74 JAK2 (0.48) JAK2NTRK1IRAK4PDE2A
SCHEMBL15428584 0.73 NTRK1 (0.49) JAK2NTRK1IRAK4PDE2A
SCHEMBL406809 0.73 HTT (0.48) JAK2NTRK1IRAK4LMNAMAPK1
SCHEMBL405097 0.73 JAK2 (0.50) JAK2NTRK1IRAK4PDE2APIK3CG

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 JAK2 1/4885NTRK1 2693/4885IRAK4 9/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885NTRK1 2693/4885IRAK4 9/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885NTRK1 2693/4885IRAK4 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.