SCHEMBL405544

SCHEMBL405544

O=C(Nc1ccccc1)c1cnn2ccc(NCc3cccc(O)c3)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HIF1A Q16665 1/20 0.49
PIM1 P11309 2/20 0.49
PIM3 Q86V86 1/20 0.49
PIM2 Q9P1W9 1/20 0.49
RET P07949 5/20 0.48
IRAK4 Q9NWZ3 4/20 0.45
FYN P06241 1/20 0.43
NLRP3 Q96P20 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
CDC7 O00311 1/20 0.43
MAP4K4 O95819 1/20 0.43
GSK3B P49841 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43

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
SCHEMBL406018 0.91 PIM1 (0.54) NTRK1NPC1RAB9ASMN1; SMN2PIM1
SCHEMBL16460685 0.89 RAB9A (0.54) NTRK1NPC1RAB9ASMN1; SMN2PIM1
SCHEMBL403243 0.89 NTRK1 (0.68) NTRK1NPC1RAB9ASMN1; SMN2PIM1
SCHEMBL404825 0.89 NTRK1 (0.54) NTRK1NPC1RAB9ASMN1; SMN2PIM1
SCHEMBL406564 0.87 NTRK1 (0.55) NTRK1NPC1RAB9ASMN1; SMN2HIF1A
SCHEMBL406191 0.87 NTRK1 (0.51) NTRK1NPC1RAB9ASMN1; SMN2PIM1
SCHEMBL406160 0.87 NPC1 (0.57) NTRK1NPC1RAB9ASMN1; SMN2PIM1
SCHEMBL402656 0.87 RXFP1 (0.56) NTRK1PIM1PIM3PIM2RET
SCHEMBL402166 0.85 NTRK1 (0.51) NTRK1NPC1RAB9ASMN1; SMN2PIM1
SCHEMBL403245 0.85 NTRK1 (0.54) NTRK1NPC1RAB9ASMN1; SMN2PIM1

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 2693/4885NPC1 2785/4885RAB9A 869/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885NPC1 2785/4885RAB9A 869/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885NPC1 2785/4885RAB9A 869/4885

“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.