SCHEMBL406564

SCHEMBL406564

COc1cccc(CNc2ccn3ncc(C(=O)Nc4ccccc4)c3n2)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.55
HIF1A Q16665 1/20 0.53
THRB P10828 1/20 0.49
PIM1 P11309 2/20 0.48
MAPK13 O15264 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
RET P07949 2/20 0.47
PIM3 Q86V86 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
IRAK4 Q9NWZ3 4/20 0.46
EPHB3 P54753 1/20 0.45
FYN P06241 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
TGFBR2 P37173 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL405036 0.93 HIF1A (0.51) NTRK1HIF1ATHRBPIM1MAPK13
SCHEMBL403713 0.88 FYN (0.51) NTRK1NPC1RAB9ARETIRAK4
SCHEMBL401832 0.88 GAA (0.57) NTRK1THRBPIM1MAPK13RET
SCHEMBL406018 0.87 PIM1 (0.54) NTRK1PIM1NPC1RAB9ARET
SCHEMBL405525 0.87 NTRK1 (0.56) NTRK1RAB9ARETFYNMAPT
SCHEMBL405544 0.87 NTRK1 (0.54) NTRK1HIF1APIM1NPC1RAB9A
SCHEMBL400574 0.86 NTRK1 (0.50) NTRK1PIM1RETPIM3PIM2
SCHEMBL404825 0.86 NTRK1 (0.54) NTRK1PIM1NPC1RAB9ARET
SCHEMBL16460685 0.86 RAB9A (0.54) NTRK1PIM1NPC1RAB9ARET
SCHEMBL403243 0.86 NTRK1 (0.68) NTRK1PIM1NPC1RAB9ARET

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 2693/4885HIF1A 2549/4885THRB 2632/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885HIF1A 2549/4885THRB 2632/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885HIF1A 2549/4885THRB 2632/4885

“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.