SCHEMBL10458772

SCHEMBL10458772

c1cc(NC2CCNCC2)nc(-c2n[nH]c3ncccc23)c1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 8/20 0.73
MAPK8 P45983 1/20 0.73
MAPK9 P45984 1/20 0.73
PIM1 P11309 8/20 0.58
IRAK1 P51617 2/20 0.47
LCK P06239 1/20 0.47
RET P07949 1/20 0.47
PDGFRB P09619 1/20 0.47
FLT3 P36888 1/20 0.47
CDK7 P50613 1/20 0.47
BLK P51451 1/20 0.47
CCNH P51946 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
CCNT1 O60563 3/20 0.46

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
SCHEMBL10458766 0.93 IRAK4 (0.64) IRAK4MAPK8MAPK9PIM1IRAK1
SCHEMBL10459245 0.84 PIM1 (0.59) IRAK4MAPK8MAPK9PIM1FLT3
SCHEMBL9882108 0.83 PIM1 (0.53) IRAK4MAPK8MAPK9PIM1
SCHEMBL15745882 0.81 PIM1 (0.69) IRAK4MAPK8MAPK9PIM1FLT3
SCHEMBL10459443 0.80 PIM1 (0.53) IRAK4MAPK8MAPK9PIM1CCNT1
SCHEMBL10459312 0.79 IRAK4 (0.47) IRAK4MAPK8MAPK9PIM1HRH3
SCHEMBL10459208 0.78 PIM1 (0.49) IRAK4MAPK8MAPK9PIM1IRAK1
SCHEMBL10459431 0.76 CCNT1 (0.50) IRAK4MAPK8MAPK9PIM1CCNT1
SCHEMBL10459258 0.76 IRAK4 (0.52) IRAK4MAPK8MAPK9PIM1CCNT1
SCHEMBL10459261 0.75 IRAK4 (0.49) IRAK4MAPK8MAPK9PIM1CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9137973-B2 Pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-09-22 US disclosed
US-9137973-B2 Pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-09-22 US disclosed
US-9029546-B2 Pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-05-12 US disclosed
US-9029546-B2 Pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-05-12 US disclosed
US-20140148434-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-29 US disclosed
US-20140148434-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-29 US disclosed
US-20120184524-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2012-07-19 US disclosed
US-20120184524-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2012-07-19 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 (2 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-20140148434-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K5, MAP3K20, MAP3K1 IRAK4 477/4885MAPK8 242/4885MAPK9 123/4885
US-20120184524-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K5, MAP3K20, MAP3K1 IRAK4 477/4885MAPK8 242/4885MAPK9 123/4885

“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.