SCHEMBL402197

SCHEMBL402197

O=C(Nc1ccccc1)c1cnn2ccc(NCc3ccccc3F)nc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.47
PIM2 Q9P1W9 6/20 0.46
PIM3 Q86V86 5/20 0.46
PIM1 P11309 3/20 0.46
IRAK4 Q9NWZ3 7/20 0.45
ALDH1A1 P00352 1/20 0.44
EPHB3 P54753 1/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
KCNH2 Q12809 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL401713 0.93 NTRK1 (0.47) NTRK1PIM2PIM3PIM1IRAK4
SCHEMBL406543 0.90 NTRK1 (0.51) NTRK1PIM2PIM3PIM1IRAK4
SCHEMBL403273 0.90 NTRK1 (0.51) NTRK1PIM2PIM3PIM1IRAK4
SCHEMBL403217 0.90 NTRK1 (0.49) NTRK1PIM2PIM3PIM1IRAK4
SCHEMBL407024 0.89 PIM1 (0.47) NTRK1PIM2PIM3PIM1IRAK4
SCHEMBL403981 0.88 KDM4E (0.53) NTRK1PIM2PIM3PIM1IRAK4
SCHEMBL406018 0.86 PIM1 (0.54) NTRK1PIM2PIM3PIM1IRAK4
SCHEMBL404615 0.86 NTRK1 (0.54) NTRK1PIM2PIM3PIM1IRAK4
SCHEMBL403245 0.85 NTRK1 (0.54) NTRK1PIM2PIM3PIM1IRAK4
SCHEMBL405801 0.85 IRAK4 (0.50) NTRK1PIM2PIM3PIM1IRAK4

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 NTRK1 2693/4885PIM2 114/4885PIM3 291/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885PIM2 114/4885PIM3 291/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885PIM2 114/4885PIM3 291/4885

“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.