SCHEMBL8968303

SCHEMBL8968303

CCc1cncc(C(=O)c2nc(N3CCN[C@@H](CC(C)C)C3)ccc2C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 14/20 0.62
PRKCD Q05655 13/20 0.62
PRKCA P17252 8/20 0.62
PRKCB P05771 1/20 0.62
FLT3 P36888 1/20 0.62
PRKCE Q02156 1/20 0.62
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
KLKB1 P03952 2/20 0.34
KLK1 P06870 2/20 0.34
ACACB O00763 1/20 0.32
PIM1 P11309 2/20 0.32
PIM3 Q86V86 2/20 0.32
PIM2 Q9P1W9 2/20 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
SCHEMBL8968278 0.91 PRKCQ (0.63) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL8968552 0.90 PRKCQ (0.64) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL8968259 0.89 PRKCQ (0.63) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL8968373 0.88 PRKCQ (0.61) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL8966638 0.86 PRKCQ (0.71) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL9012954 0.85 PRKCQ (0.75) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL8966809 0.81 PRKCQ (0.64) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL9010389 0.78 PRKCQ (0.77) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL9010348 0.78 PRKCQ (0.76) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL9013016 0.78 PRKCQ (0.76) PRKCQPRKCDPRKCAPRKCBFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 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 (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-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885PRKCD 120/4885PRKCA 25/4885

“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.