SCHEMBL10459247

SCHEMBL10459247

CC(C)C[C@H](N)CNc1cccc(-c2n[nH]c3ncccc23)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 13/20 0.43
PIM3 Q86V86 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
LRRK2 Q5S007 1/20 0.32
SYK P43405 2/20 0.32
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CDK5 Q00535 1/20 0.31
HRH4 Q9H3N8 1/20 0.31

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
SCHEMBL13537018 0.88 PIM1 (0.36) PIM1PIM3PIM2IRAK4SYK
SCHEMBL10459260 0.87 PIM1 (0.41) PIM1PIM3PIM2MAPK8MAPK9
SCHEMBL10457549 0.82 PIM1 (0.43) PIM1PIM3PIM2MAPK8MAPK9
SCHEMBL10459276 0.81 PIM1 (0.43) PIM1PIM3PIM2MAPK8MAPK9
SCHEMBL10459216 0.78 PIM1 (0.44) PIM1PIM3PIM2MAPK8MAPK9
SCHEMBL10323983 0.78 PIM1 (0.46) PIM1PIM3PIM2MAPK8MAPK9
SCHEMBL10457547 0.77 CYP2D6 (0.53) PIM1PIM3PIM2MAPK8MAPK9
SCHEMBL10459165 0.77 PIM1 (0.61) PIM1PIM3PIM2IRAK4SYK
SCHEMBL10459404 0.76 PIM1 (0.50) PIM1PIM3PIM2MAPK8MAPK9
SCHEMBL10459237 0.76 PIM1 (0.47) PIM1PIM3PIM2MAPK8MAPK9

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 7 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

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 PIM1 220/4885PIM3 260/4885PIM2 176/4885
US-20120184524-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K5, MAP3K20, MAP3K1 PIM1 220/4885PIM3 260/4885PIM2 176/4885

“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.