SCHEMBL406543

SCHEMBL406543

O=C(Nc1ccccc1)c1cnn2ccc(NCc3cc(F)ccc3F)nc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 6/20 0.51
JAK2 O60674 3/20 0.46
PIM2 Q9P1W9 5/20 0.44
PIM3 Q86V86 4/20 0.44
PIM1 P11309 2/20 0.44
TYK2 P29597 2/20 0.43
IRAK4 Q9NWZ3 6/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NLRP3 Q96P20 1/20 0.42
JAK1 P23458 1/20 0.42
JAK3 P52333 1/20 0.42
KCNH2 Q12809 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
SCHEMBL403273 0.93 NTRK1 (0.51) NTRK1JAK2PIM2PIM3PIM1
SCHEMBL402197 0.90 NTRK1 (0.47) NTRK1JAK2PIM2PIM3PIM1
SCHEMBL404615 0.86 NTRK1 (0.54) NTRK1PIM2PIM3PIM1IRAK4
SCHEMBL401713 0.86 NTRK1 (0.47) NTRK1JAK2PIM2PIM3PIM1
SCHEMBL403245 0.86 NTRK1 (0.54) NTRK1JAK2PIM2PIM3PIM1
SCHEMBL403243 0.86 NTRK1 (0.68) NTRK1JAK2PIM2PIM3PIM1
SCHEMBL406047 0.85 NTRK1 (0.57) NTRK1JAK2PIM2PIM3PIM1
SCHEMBL403217 0.84 NTRK1 (0.49) NTRK1JAK2PIM2PIM3PIM1
SCHEMBL405446 0.84 NTRK1 (0.51) NTRK1JAK2
SCHEMBL405014 0.84 NTRK1 (0.55) NTRK1JAK2

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 2693/4885JAK2 1/4885PIM2 114/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885JAK2 1/4885PIM2 114/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885JAK2 1/4885PIM2 114/4885

“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.