SCHEMBL9882108

SCHEMBL9882108

c1cc(-c2n[nH]c3ncccc23)nc(C2CCNCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 13/20 0.53
PIM3 Q86V86 2/20 0.53
PIM2 Q9P1W9 2/20 0.53
MAPK8 P45983 2/20 0.50
MAPK9 P45984 2/20 0.50
IRAK4 Q9NWZ3 1/20 0.50
MAPK10 P53779 1/20 0.40
TGFBR1 P36897 1/20 0.38

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
SCHEMBL10458772 0.83 IRAK4 (0.73) PIM1MAPK8MAPK9IRAK4
SCHEMBL9882371 0.82 PRKCQ (0.43) PIM1PIM3PIM2MAPK8MAPK9
SCHEMBL10459245 0.79 PIM1 (0.59) PIM1PIM3PIM2MAPK8MAPK9
SCHEMBL9882360 0.79 CCNT1 (0.43) PIM1PIM3PIM2MAPK8MAPK9
SCHEMBL10458766 0.79 IRAK4 (0.64) PIM1MAPK8MAPK9IRAK4
SCHEMBL9881936 0.77 PRKCA (0.64) PIM1PIM3PIM2
SCHEMBL9882106 0.76 CDK9 (0.43) PIM1PIM3PIM2MAPK8MAPK9
SCHEMBL17857651 0.76 HTR1A (0.40) PIM1
SCHEMBL1833053 0.76 LRRK2 (0.44) PIM1PIM3PIM2MAPK8MAPK9
SCHEMBL10459443 0.75 PIM1 (0.53) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193722-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-11-24 US disclosed
US-9193722-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-11-24 US disclosed
US-20130252939-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-26 US disclosed
US-20130252939-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-26 US disclosed
US-20120136000-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2012-05-31 US disclosed
US-20120136000-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2012-05-31 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-20130252939-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K20, MAP3K5, PRKACA PIM1 305/4885PIM3 363/4885PIM2 285/4885
US-20120136000-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K20, MAP3K5, PRKACA PIM1 305/4885PIM3 363/4885PIM2 285/4885

“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.