SCHEMBL9882382

SCHEMBL9882382

CC(C)CC1CN(c2ccc(F)c(-c3n[nH]c4ncccc34)n2)CCC1CC#N

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 16/20 0.49
▸ PRKCD Q05655 12/20 0.49
▸ PRKCA P17252 2/20 0.41
▸ TLR9 Q9NR96 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TRPV3 Q8NET8 1/20 0.33
▸ AXL P30530 1/20 0.32

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
SCHEMBL9882379 0.90 PRKCQ (0.43) PRKCQPRKCDPRKCATLR9TLR8
SCHEMBL15273850 0.89 PRKCQ (0.50) PRKCQPRKCDPRKCAMAPTAXL
SCHEMBL9882313 0.89 PRKCQ (0.51) PRKCQPRKCDPRKCAMAPT
SCHEMBL15273819 0.87 PRKCQ (0.53) PRKCQPRKCDPRKCAMAPTTRPV3
SCHEMBL15273789 0.87 PRKCQ (0.53) PRKCQPRKCDPRKCAMAPTTRPV3
SCHEMBL9882266 0.87 PRKCQ (0.53) PRKCQPRKCDPRKCAMAPTTRPV3
SCHEMBL9882267 0.87 PRKCQ (0.53) PRKCQPRKCDPRKCAMAPTTRPV3
SCHEMBL17277169 0.86 PRKCQ (0.52) PRKCQPRKCDPRKCAMAPT
SCHEMBL17277170 0.86 PRKCQ (0.52) PRKCQPRKCDPRKCAMAPT
SCHEMBL9882334 0.82 PRKCQ (0.44) PRKCQPRKCDPRKCAMAPTAXL

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 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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