SCHEMBL8967456

SCHEMBL8967456

CC(C)C[C@H]1CN(c2ccc(-c3ccccc3)c(C(=O)c3cccnc3)n2)CCN1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 15/20 0.72
PRKCA P17252 8/20 0.72
PRKCD Q05655 12/20 0.56
PRKCB P05771 1/20 0.54
FLT3 P36888 1/20 0.54
PRKCE Q02156 1/20 0.54
ALDH1A1 P00352 1/20 0.38
TLR9 Q9NR96 2/20 0.38
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
ADRB1 P08588 1/20 0.36
HDAC1 Q13547 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
SCHEMBL8967517 0.90 PRKCQ (0.60) PRKCQPRKCAPRKCDPRKCBFLT3
SCHEMBL8967746 0.89 PRKCQ (0.58) PRKCQPRKCAPRKCDPRKCBFLT3
SCHEMBL8966817 0.87 PRKCQ (0.62) PRKCQPRKCAPRKCDPRKCBFLT3
SCHEMBL8967480 0.87 PRKCQ (0.56) PRKCQPRKCAPRKCDPRKCBFLT3
SCHEMBL8968131 0.86 PRKCQ (0.55) PRKCQPRKCAPRKCDPRKCBFLT3
SCHEMBL8966788 0.86 PRKCQ (0.57) PRKCQPRKCAPRKCDPRKCBFLT3
SCHEMBL8966806 0.85 PRKCQ (0.55) PRKCQPRKCAPRKCDPRKCBFLT3
SCHEMBL8967362 0.85 PRKCQ (0.55) PRKCQPRKCAPRKCDPRKCBFLT3
SCHEMBL8966638 0.85 PRKCQ (0.71) PRKCQPRKCAPRKCDPRKCBFLT3
SCHEMBL8967148 0.85 PRKCQ (0.71) PRKCQPRKCAPRKCDPRKCBFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815866-B2 Aminopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-26 US disclosed
US-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-20130137703-A1 AMINOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-30 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 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-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885PRKCA 25/4885PRKCD 120/4885
US-20130137703-A1 AMINOPYRIDINE KINASE INHIBITORS MAP3K5, MAP3K20, MAP4K5 PRKCQ 37/4885PRKCA 24/4885PRKCD 85/4885

“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.