SCHEMBL9882292

SCHEMBL9882292

NC[C@@H]1CCN(c2ccc(C(F)(F)F)c(-c3n[nH]c4ncccc34)n2)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 9/20 0.47
▸ MAPT P10636 1/20 0.46
▸ PRKCQ Q04759 6/20 0.45
▸ PRKCD Q05655 4/20 0.45
▸ PTPN11 Q06124 3/20 0.42
▸ PRKCA P17252 2/20 0.37
▸ FLT3 P36888 2/20 0.37
▸ PRKCB P05771 1/20 0.37
▸ PRKCE Q02156 1/20 0.37
▸ TTR P02766 1/20 0.37
▸ GSK3B P49841 1/20 0.37

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
SCHEMBL9882297 1.00 PIM1 (0.47) PIM1MAPTPRKCQPRKCDPTPN11
SCHEMBL9882075 0.95 PTPN11 (0.46) PIM1MAPTPRKCQPRKCDPTPN11
SCHEMBL9882074 0.94 MAPT (0.49) PIM1MAPTPRKCQPRKCDPTPN11
SCHEMBL9882301 0.92 PRKCQ (0.44) PIM1MAPTPRKCQPRKCDPTPN11
SCHEMBL9882289 0.88 PIM1 (0.49) PIM1MAPTPRKCQPRKCDPRKCA
SCHEMBL9882072 0.88 PRKCQ (0.47) PIM1PRKCQPRKCDPTPN11PRKCA
SCHEMBL9882300 0.88 PIM1 (0.49) PIM1MAPTPRKCQPRKCDPRKCA
SCHEMBL9882234 0.88 PIM1 (0.49) PIM1MAPTPRKCQPRKCDPRKCA
SCHEMBL9882393 0.87 PRKCQ (0.46) PIM1MAPTPRKCQPRKCDPRKCA
SCHEMBL9882263 0.87 MAPT (0.47) PIM1MAPTPRKCQPRKCDPRKCA

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 305/4885MAPT 1479/4885PRKCQ 51/4885
US-20120136000-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K20, MAP3K5, PRKACA PIM1 305/4885MAPT 1479/4885PRKCQ 51/4885

“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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