SCHEMBL9882307

SCHEMBL9882307

CNC1CCN(c2ccc(F)c(-c3n[nH]c4ncccc34)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 10/20 0.48
▸ PRKCD Q05655 7/20 0.48
▸ MAPT P10636 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ CDC42BPB Q9Y5S2 1/20 0.41
▸ PRKCA P17252 1/20 0.40
▸ SMO Q99835 3/20 0.39
▸ HRH4 Q9H3N8 4/20 0.38
▸ PTPN11 Q06124 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
SCHEMBL9882217 0.89 PRKCQ (0.52) PRKCQPRKCDMAPTPRKCA
SCHEMBL9882306 0.87 PRKCQ (0.50) PRKCQPRKCDMAPTPRKCA
SCHEMBL9882298 0.87 PRKCQ (0.43) PRKCQPRKCDMAPTPRKCASMO
SCHEMBL9882218 0.85 PRKCQ (0.48) PRKCQPRKCDMAPTROCK2PRKCA
SCHEMBL1836378 0.85 PRKCQ (0.52) PRKCQPRKCDMAPTPRKCAHRH4
SCHEMBL9882216 0.85 PRKCQ (0.54) PRKCQPRKCDMAPTROCK2ROCK1
SCHEMBL9882223 0.84 PRKCQ (0.48) PRKCQPRKCDMAPTPRKCA
SCHEMBL9882034 0.84 PRKCQ (0.67) PRKCQPRKCDPRKCA
SCHEMBL9882299 0.82 PRKCQ (0.47) PRKCQPRKCDMAPTPRKCAPTPN11
SCHEMBL9882300 0.81 PIM1 (0.49) PRKCQPRKCDMAPTPRKCA

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 144/4885MAPT 1479/4885
US-20120136000-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K20, MAP3K5, PRKACA PRKCQ 51/4885PRKCD 144/4885MAPT 1479/4885

“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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