SCHEMBL9882272

SCHEMBL9882272

CC(C)CC1CCCN(c2ccc(C(F)(F)F)c(-c3n[nH]c4ncccc34)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 14/20 0.46
▸ PRKCD Q05655 11/20 0.46
▸ PRKCA P17252 4/20 0.41
▸ FLT3 P36888 2/20 0.41
▸ PRKCB P05771 1/20 0.41
▸ PRKCE Q02156 1/20 0.41
▸ MAPT P10636 1/20 0.39
▸ PIM1 P11309 3/20 0.38
▸ GSK3B P49841 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36

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
SCHEMBL9882030 1.00 PRKCQ (0.46) PRKCQPRKCDPRKCAFLT3PRKCB
SCHEMBL9882273 0.89 PRKCQ (0.53) PRKCQPRKCDPRKCAMAPTPIM1
SCHEMBL9882209 0.89 PRKCQ (0.44) PRKCQPRKCDPRKCAFLT3MAPT
SCHEMBL9882101 0.89 PRKCQ (0.53) PRKCQPRKCDPRKCAMAPTPIM1
SCHEMBL9882075 0.89 PTPN11 (0.46) PRKCQPRKCDPRKCAFLT3MAPT
SCHEMBL15275454 0.89 PRKCQ (0.44) PRKCQPRKCDPRKCAFLT3MAPT
SCHEMBL9882102 0.89 PRKCQ (0.53) PRKCQPRKCDPRKCAMAPTPIM1
SCHEMBL15273604 0.87 PIM1 (0.44) PRKCQPRKCDPRKCAMAPTPIM1
SCHEMBL15273617 0.87 PIM1 (0.44) PRKCQPRKCDPRKCAMAPTPIM1
SCHEMBL15273685 0.87 PRKCQ (0.55) PRKCQPRKCDPRKCAFLT3PRKCB

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
EP-2318408-B1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMA (US) 2016-02-17 — — EP disclosed
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 PRKCQ 51/4885PRKCD 144/4885PRKCA 34/4885
US-20120136000-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K20, MAP3K5, PRKACA PRKCQ 51/4885PRKCD 144/4885PRKCA 34/4885

“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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