SCHEMBL1762256

SCHEMBL1762256

c1cnc2c(-c3ccncn3)cnn2c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.50
PIK3C3 Q8NEB9 1/20 0.50
BMP4 P12644 1/20 0.50
SMPD3 Q9NY59 3/20 0.47
AXL P30530 1/20 0.47
CDK2 P24941 1/20 0.44
LRRK2 Q5S007 1/20 0.39
HTT P42858 1/20 0.39
IRAK4 Q9NWZ3 3/20 0.39
KDR P35968 4/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
PIK3CD O00329 1/20 0.38
JAK2 O60674 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL2971282 0.82 BMP4 (0.57) JAK1PIK3C3BMP4SMPD3AXL
SCHEMBL29799087 0.79 KDR (0.61) JAK1PIK3C3BMP4SMPD3AXL
SCHEMBL28133532 0.78 DYRK1A (0.58) JAK1PIK3C3BMP4KDR
Hydrochloric Acid SCHEMBL29504907 0.78 KDR (0.59) JAK1PIK3C3BMP4SMPD3AXL
SCHEMBL1762156 0.76 SMPD3 (0.45) JAK1PIK3C3BMP4SMPD3AXL
SCHEMBL7112314 0.73 KDR (0.59) JAK1PIK3C3BMP4SMPD3AXL
SCHEMBL1761793 0.73 SMPD3 (0.53) JAK1PIK3C3BMP4SMPD3AXL
SCHEMBL376785 0.73 JAK1 (0.48) JAK1PIK3C3BMP4SMPD3AXL
SCHEMBL28885304 0.73 SMPD3 (0.53) JAK1PIK3C3BMP4SMPD3AXL
SCHEMBL5316717 0.73 JAK1 (0.48) JAK1PIK3C3BMP4SMPD3AXL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937064-B2 Pyrazolo[1,5-a]pyrimidines useful as JAK2 inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-01-20 US disclosed
US-20110118255-A1 PYRAZOLO[1,5-a]PYRIMIDINES USEFUL AS JAK2 INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-19 US disclosed
EP-2252618-A1 PYRAZOLO [1,5-a] PYRIMIDINES USEFUL AS JAK2 INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2010-11-24 EP disclosed
WO-2009085913-A1 PYRAZOLO [1,5-a] PYRIMIDINES USEFUL AS JAK2 INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-07-09 WO 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 (1 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-20110118255-A1 PYRAZOLO[1,5-a]PYRIMIDINES USEFUL AS JAK2 INHIBITORS JAK2, JAK1, JAK3 JAK1 2/4885PIK3C3 25/4885BMP4 3507/4885

“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.