SCHEMBL9881966

SCHEMBL9881966

CC(=O)N1CCN(c2cccc(-c3n[nH]c4ncccc34)n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 14/20 0.57
▸ FLT3 P36888 2/20 0.53
▸ CDK1 P06493 1/20 0.50
▸ CCNB1 P14635 1/20 0.50
▸ PIM3 Q86V86 3/20 0.48
▸ PIM2 Q9P1W9 3/20 0.48
▸ LRRK2 Q5S007 3/20 0.47
▸ PRKCA P17252 1/20 0.45
▸ PRKCQ Q04759 1/20 0.45
▸ PRKCD Q05655 1/20 0.45

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
SCHEMBL9881972 0.86 PIM1 (0.53) PIM1PIM3PIM2PRKCAPRKCQ
SCHEMBL9881936 0.83 PRKCA (0.64) PIM1PIM3PIM2PRKCAPRKCQ
SCHEMBL9881979 0.83 PIM1 (0.51) PIM1PIM3PIM2PRKCAPRKCQ
SCHEMBL9881967 0.82 PIM1 (0.64) PIM1PIM3PIM2PRKCAPRKCQ
SCHEMBL9881971 0.82 PIM1 (0.63) PIM1PIM3PIM2LRRK2PRKCA
SCHEMBL9882004 0.80 PIM1 (0.64) PIM1PIM3PIM2
SCHEMBL9881926 0.79 PIM1 (0.65) PIM1PIM3PIM2PRKCAPRKCQ
SCHEMBL9882013 0.77 PRKCQ (0.68) PIM1PIM3PIM2PRKCAPRKCQ
SCHEMBL9881957 0.77 PRKCQ (0.68) PIM1PIM3PIM2PRKCAPRKCQ
SCHEMBL9882007 0.77 PIM1 (0.66) PIM1PRKCQ

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-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-8569337-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-29 — — 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 305/4885FLT3 160/4885CDK1 124/4885
US-20120136000-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K20, MAP3K5, PRKACA PIM1 305/4885FLT3 160/4885CDK1 124/4885

“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.

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