SCHEMBL13857136

SCHEMBL13857136

Cc1ncccc1C(=O)c1cccc(N2CCCN(Cc3ccccc3)CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 9/20 0.56
PRKCA P17252 2/20 0.48
PRKCD Q05655 2/20 0.48
HRH3 Q9Y5N1 1/20 0.48
HTR7 P34969 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD11B1 P28845 1/20 0.45
CASP1 P29466 2/20 0.44
CASP5 P51878 2/20 0.44
CASP4 P49662 1/20 0.44
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL13857244 0.91 PRKCQ (0.56) PRKCQPRKCAPRKCDCASP1CASP5
SCHEMBL8970304 0.89 PRKCQ (0.69) PRKCQPRKCAPRKCDHRH3
SCHEMBL13857179 0.85 PRKCQ (0.54) PRKCQPRKCAPRKCDALDH1A1
SCHEMBL13857219 0.84 PRKCQ (0.57) PRKCQPRKCAPRKCDHTR1AHTR2A
SCHEMBL13857241 0.83 PRKCQ (0.78) PRKCQPRKCAPRKCD
SCHEMBL8969919 0.81 PRKCQ (0.52) PRKCQPRKCAPRKCDHRH3ALDH1A1
SCHEMBL8964942 0.80 MAPT (0.52) HRH3ALDH1A1HSD11B1CASP1CASP5
SCHEMBL8970185 0.79 PRKCQ (0.69) PRKCQPRKCAPRKCD
SCHEMBL13857197 0.79 PRKCQ (0.54) PRKCQPRKCAPRKCDALDH1A1
SCHEMBL13857191 0.78 PRKCQ (0.57) PRKCQPRKCAPRKCDALDH1A1

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 5 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-8741931-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2014-06-03 US disclosed
US-20120214799-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-23 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 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.