SCHEMBL405674

SCHEMBL405674

Cn1nc(-c2ccccc2)cc1CNc1ccn2ncc(C(=O)Nc3ccccc3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 6/20 0.45
RET P07949 3/20 0.45
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
NTRK1 P04629 3/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
JAK2 O60674 3/20 0.41
KMT2A Q03164 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41

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
SCHEMBL15428626 0.90 JAK2 (0.47) IRAK4RETPIM1PIM3PIM2
SCHEMBL405010 0.85 PIM1 (0.47) IRAK4RETPIM1PIM3PIM2
SCHEMBL405673 0.85 NTRK1 (0.53) IRAK4NTRK1JAK2JAK1TYK2
SCHEMBL400207 0.82 IRAK4 (0.46) IRAK4RETPIM1PIM3PIM2
SCHEMBL403141 0.81 HTT (0.54) IRAK4RETPIM1PIM3PIM2
SCHEMBL406018 0.81 PIM1 (0.54) IRAK4RETPIM1PIM3PIM2
SCHEMBL405250 0.80 IRAK4 (0.50) IRAK4PIM1PIM3PIM2MAPT
SCHEMBL403483 0.79 RET (0.50) IRAK4RETPIM1PIM3PIM2
SCHEMBL404803 0.78 NTRK1 (0.49) IRAK4RETPIM1PIM3PIM2
SCHEMBL406047 0.78 NTRK1 (0.57) IRAK4RETPIM1PIM3PIM2

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 IRAK4 9/4885RET 80/4885PIM1 181/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 IRAK4 9/4885RET 80/4885PIM1 181/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 IRAK4 9/4885RET 80/4885PIM1 181/4885

“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.