SCHEMBL13857094

SCHEMBL13857094

CCCCNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 3/20 0.47
PRKCA P17252 2/20 0.47
PRKCD Q05655 2/20 0.47
FLT3 P36888 2/20 0.47
PRKCB P05771 1/20 0.47
PRKCE Q02156 1/20 0.47
ALDH1A1 P00352 3/20 0.42
TLR8 Q9NR97 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.40
TLR7 Q9NYK1 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
CLK2 P49760 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CDK9 P50750 1/20 0.39
LIMK1 P53667 1/20 0.39
CDK5 Q00535 1/20 0.39
DYRK1A Q13627 1/20 0.39

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
SCHEMBL8967301 0.94 PRKCQ (0.48) PRKCQPRKCAPRKCDFLT3PRKCB
SCHEMBL8967016 0.91 PRKCQ (0.45) PRKCQPRKCAPRKCDFLT3PRKCB
SCHEMBL8967519 0.91 PRKCQ (0.45) PRKCQPRKCAPRKCDFLT3PRKCB
SCHEMBL9012588 0.90 PRKCQ (0.45) PRKCQPRKCAPRKCDFLT3PRKCB
SCHEMBL8967062 0.89 PRKCQ (0.47) PRKCQPRKCAPRKCDFLT3PRKCB
SCHEMBL8967013 0.89 PRKCQ (0.47) PRKCQPRKCAPRKCDFLT3PRKCB
SCHEMBL8967647 0.89 PRKCQ (0.47) PRKCQPRKCAPRKCDFLT3PRKCB
SCHEMBL11993749 0.85 PRKCQ (0.48) PRKCQPRKCAPRKCDFLT3PRKCB
SCHEMBL8966966 0.85 PRKCQ (0.48) PRKCQPRKCAPRKCDFLT3PRKCB
SCHEMBL8967201 0.84 PRKCQ (0.47) PRKCQPRKCAPRKCDFLT3PRKCB

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 3 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-20120214799-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-23 US disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 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 (3 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-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885PRKCA 25/4885PRKCD 120/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885PRKCA 25/4885PRKCD 120/4885

“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.