SCHEMBL14718095

SCHEMBL14718095

CC(C)CC1CN(c2nc(-c3n[nH]c4ncccc34)c(C#N)cc2F)CCN1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 20/20 0.54
▸ PRKCD Q05655 15/20 0.54
▸ PRKCA P17252 9/20 0.45
▸ PRKCB P05771 2/20 0.40
▸ PRKCE Q02156 2/20 0.40
▸ PRKCG P05129 1/20 0.40
▸ PRKCH P24723 1/20 0.40
▸ PRKD1 Q15139 1/20 0.40
▸ FLT3 P36888 1/20 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
SCHEMBL12347381 1.00 PRKCQ (0.54) PRKCQPRKCDPRKCAPRKCBPRKCE
SCHEMBL18294510 0.92 PRKCQ (0.54) PRKCQPRKCDPRKCAPRKCBPRKCE
SCHEMBL14725879 0.90 PRKCQ (0.58) PRKCQPRKCDPRKCAPRKCBPRKCE
SCHEMBL22428968 0.86 PRKCQ (0.52) PRKCQPRKCDPRKCAPRKCBPRKCE
SCHEMBL14725880 0.85 PRKCQ (0.56) PRKCQPRKCDPRKCAPRKCBPRKCE
SCHEMBL799880 0.84 PRKCQ (0.71) PRKCQPRKCDPRKCAPRKCBPRKCE
SCHEMBL800300 0.84 PRKCQ (0.71) PRKCQPRKCDPRKCAPRKCBPRKCE
SCHEMBL9882086 0.83 PRKCQ (0.58) PRKCQPRKCDPRKCAPRKCBPRKCE
SCHEMBL778625 0.82 PRKCQ (0.46) PRKCQPRKCDPRKCAPRKCBPRKCE
SCHEMBL9882140 0.81 PRKCQ (0.74) PRKCQPRKCDPRKCAPRKCBPRKCE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053395-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-28 — — 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 (1 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-20130053395-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K5, MAP3K20, MAP3K1 PRKCQ 41/4885PRKCD 111/4885PRKCA 29/4885

“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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