SCHEMBL403904

SCHEMBL403904

O=C(Nc1ccccc1)c1cnn2ccc(NCc3ccccc3OC(F)F)nc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.44
JAK1 P23458 7/20 0.44
IRAK4 Q9NWZ3 6/20 0.43
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
JAK3 P52333 4/20 0.42
TYK2 P29597 3/20 0.42
LRRK2 Q5S007 1/20 0.42
NTRK1 P04629 3/20 0.42
RECQL P46063 1/20 0.41
FLT3 P36888 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
SCHEMBL401698 0.87 HDAC3 (0.46) JAK2JAK1IRAK4PIM1PIM3
SCHEMBL405515 0.86 PIM1 (0.45) IRAK4PIM1PIM3PIM2JAK3
SCHEMBL402197 0.85 NTRK1 (0.47) JAK2JAK1IRAK4PIM1PIM3
SCHEMBL407024 0.84 PIM1 (0.47) IRAK4PIM1PIM3PIM2NTRK1
SCHEMBL403903 0.84 NTRK1 (0.54) JAK2JAK1IRAK4JAK3TYK2
SCHEMBL406311 0.83 HIF1A (0.53) IRAK4PIM1PIM3PIM2JAK3
SCHEMBL403981 0.83 KDM4E (0.53) JAK2IRAK4PIM1PIM3PIM2
SCHEMBL401713 0.82 NTRK1 (0.47) JAK2JAK1IRAK4PIM1PIM3
SCHEMBL406543 0.81 NTRK1 (0.51) JAK2JAK1IRAK4PIM1PIM3
SCHEMBL403273 0.81 NTRK1 (0.51) JAK2JAK1IRAK4PIM1PIM3

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
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 1/4885JAK1 2/4885IRAK4 9/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885IRAK4 9/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885IRAK4 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.