SCHEMBL15428671

SCHEMBL15428671

CC(C)(C)Nc1ccn2ncc(C(=O)O)c2n1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 13/20 0.42
TGFBR1 P36897 2/20 0.40
RET P07949 1/20 0.40
JAK2 O60674 3/20 0.39
TYK2 P29597 3/20 0.39
JAK1 P23458 2/20 0.39
JAK3 P52333 2/20 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
SCHEMBL18208666 0.85 JAK2 (0.50) IRAK4TGFBR1RETJAK2TYK2
SCHEMBL21996890 0.80 IRAK4 (0.46) IRAK4RETTYK2
SCHEMBL18386990 0.77 ADORA3 (0.49) IRAK4RETJAK2
SCHEMBL359281 0.76 TYK2 (0.53) IRAK4TGFBR1JAK2TYK2JAK1
Tert-Butylamine SCHEMBL406752 0.76 TYK2 (0.40) IRAK4TGFBR1JAK2TYK2JAK1
SCHEMBL15428591 0.75 IRAK4 (0.66) IRAK4JAK2TYK2JAK1JAK3
SCHEMBL15428690 0.75 ROCK1 (0.41) IRAK4TGFBR1RETJAK2TYK2
SCHEMBL461457 0.74 TGFBR1 (0.42) IRAK4TGFBR1TYK2
SCHEMBL21996801 0.74 PIM1 (0.56) IRAK4RET
SCHEMBL405685 0.74 KDM4E (0.45) IRAK4TGFBR1JAK2TYK2JAK1

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
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

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-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 IRAK4 9/4885TGFBR1 1184/4885RET 80/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 IRAK4 9/4885TGFBR1 1184/4885RET 80/4885

“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.