SCHEMBL9882352

SCHEMBL9882352

OC1CCCN(c2ccc(C(F)(F)F)c(-c3n[nH]c4ncccc34)n2)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 7/20 0.47
▸ PRKCQ Q04759 3/20 0.46
▸ PRKCD Q05655 1/20 0.46
▸ CCNE2 O96020 1/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.40
▸ IDH2 P48735 4/20 0.39
▸ PRKCA P17252 2/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ METAP2 P50579 2/20 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
SCHEMBL9882069 0.89 PIM1 (0.51) PIM1PRKCQPRKCDPRKCAFLT3
SCHEMBL9882209 0.88 PRKCQ (0.44) PIM1PRKCQPRKCDPRKCAFLT3
SCHEMBL15275454 0.88 PRKCQ (0.44) PIM1PRKCQPRKCDPRKCAFLT3
SCHEMBL9882075 0.86 PTPN11 (0.46) PIM1PRKCQPRKCDPRKCAFLT3
SCHEMBL9882072 0.85 PRKCQ (0.47) PIM1PRKCQPRKCDPRKCAFLT3
SCHEMBL9882272 0.84 PRKCQ (0.46) PIM1PRKCQPRKCDPRKCAFLT3
SCHEMBL9882030 0.84 PRKCQ (0.46) PIM1PRKCQPRKCDPRKCAFLT3
SCHEMBL9882215 0.83 PRKCQ (0.47) PIM1PRKCQPRKCDCCNE1CDK2
SCHEMBL9883356 0.82 PRKCQ (0.42) PIM1PRKCQPRKCDCCNE1CDK2
SCHEMBL9882073 0.82 PRKCQ (0.48) PIM1PRKCQPRKCDPRKCAFLT3

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 305/4885PRKCQ 51/4885PRKCD 144/4885
US-20120136000-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K20, MAP3K5, PRKACA PIM1 305/4885PRKCQ 51/4885PRKCD 144/4885

“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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