SCHEMBL9882138

SCHEMBL9882138

FC(F)(F)c1ccnc2[nH]nc(-c3cccc(N4CCNCC4)n3)c12

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 18/20 0.52
▸ PIM3 Q86V86 7/20 0.49
▸ PIM2 Q9P1W9 7/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ PRKCA P17252 1/20 0.47
▸ PRKCQ Q04759 1/20 0.47
▸ PRKCD Q05655 1/20 0.47

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
SCHEMBL12433139 0.78 PIM1 (0.55) PIM1PIM3PIM2PRKCAPRKCQ
SCHEMBL9881936 0.78 PRKCA (0.64) PIM1PIM3PIM2PRKCAPRKCQ
SCHEMBL9881926 0.74 PIM1 (0.65) PIM1PIM3PIM2PRKCAPRKCQ
SCHEMBL9881935 0.73 PRKCQ (0.53) PIM1PIM3PIM2CYP1A2CYP2C9
SCHEMBL9882043 0.70 PRKCQ (0.49) PIM1PIM3PIM2CYP1A2CYP2C9
SCHEMBL9881986 0.70 PIM1 (0.61) PIM1PIM3PIM2
SCHEMBL9882040 0.69 PRKD1 (0.53) PIM1PIM3PIM2PRKCAPRKCQ
SCHEMBL14689189 0.68 PIM1 (1.00) PIM1PIM3PIM2
SCHEMBL14713855 0.67 PIM1 (0.74) PIM1PIM3PIM2
SCHEMBL9881970 0.67 PIM1 (0.58) PIM1PIM3PIM2PRKCAPRKCQ

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.

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