SCHEMBL9917811

SCHEMBL9917811

N#CC1(c2cc(-c3ccnc4[nH]ncc34)cc(C(F)(F)CN)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRKCE Q02156 8/20 0.49
PRKCQ Q04759 12/20 0.48
JAK2 O60674 1/20 0.46
ROCK2 O75116 1/20 0.46
PRKCD Q05655 1/20 0.46
ROCK1 Q13464 1/20 0.46

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
SCHEMBL9918010 0.94 PRKCE (0.50) PRKCEPRKCQJAK2ROCK2PRKCD
SCHEMBL9917812 0.89 PRKCQ (0.47) PRKCEPRKCQJAK2ROCK2PRKCD
SCHEMBL10175005 0.88 PRKCQ (0.46) PRKCEPRKCQJAK2ROCK2PRKCD
SCHEMBL9917781 0.85 PRKCQ (0.48) PRKCEPRKCQJAK2ROCK2PRKCD
SCHEMBL9918008 0.84 PRKCQ (0.46) PRKCEPRKCQJAK2ROCK2PRKCD
SCHEMBL9917817 0.82 PRKCE (0.62) PRKCEPRKCQ
SCHEMBL9917989 0.81 PRKCE (0.54) PRKCE
SCHEMBL9917981 0.80 PRKCE (0.56) PRKCEPRKCQ
SCHEMBL9917921 0.78 PRKCE (0.52) PRKCEPRKCQ
SCHEMBL9917803 0.78 PRKCE (0.62) PRKCEPRKCQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367697-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-05 US disclosed
US-8367697-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-05 US disclosed
US-20120149680-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-14 US disclosed
US-20120149680-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-14 US disclosed
US-8173635-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-08 US disclosed
US-8173635-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-08 US disclosed
US-20090291937-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-11-26 US disclosed
US-20090291937-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-11-26 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-20090291937-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCE 29/4885PRKCQ 38/4885JAK2 133/4885
US-20120149680-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCE 29/4885PRKCQ 38/4885JAK2 133/4885

“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.