SCHEMBL401793

SCHEMBL401793

CN(c1ccn2ncc(C(=O)Nc3ccccc3)c2n1)C1CCCC(CN)C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 15/20 0.46
IRAK1 P51617 1/20 0.46
FLT3 P36888 1/20 0.44
NTRK1 P04629 3/20 0.41
JAK2 O60674 1/20 0.39
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
SCHEMBL401792 0.85 NTRK1 (0.49) IRAK4FLT3NTRK1JAK2JAK1
SCHEMBL406886 0.73 NTRK1 (0.41) IRAK4IRAK1NTRK1JAK2
SCHEMBL400689 0.73 NTRK1 (0.54) IRAK4FLT3NTRK1JAK2JAK1
SCHEMBL21997192 0.72 SMPD3 (0.43) IRAK4FLT3NTRK1JAK2JAK3
SCHEMBL400691 0.72 IRAK4 (0.56) IRAK4
SCHEMBL406176 0.72 IRAK4 (0.56) IRAK4
SCHEMBL15428663 0.71 JAK2 (0.46) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL403236 0.71 HTT (0.53) IRAK4NTRK1JAK2JAK1TYK2
SCHEMBL15428727 0.70 EPHB3 (0.47) IRAK4NTRK1JAK2JAK1TYK2
SCHEMBL406029 0.69 IRAK4 (0.76) IRAK4FLT3JAK2JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 IRAK4 9/4885IRAK1 6/4885FLT3 16/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 IRAK4 9/4885IRAK1 6/4885FLT3 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.