SCHEMBL13857239

SCHEMBL13857239

Cc1ncccc1C(=O)c1cccc(N2CCCN(C(=O)CC3CCCCC3)CC2)n1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 1/20 0.58
HSD17B10 Q99714 1/20 0.58
PRKCQ Q04759 12/20 0.52
PRKCA P17252 3/20 0.46
PRKCD Q05655 3/20 0.46
POLB P06746 2/20 0.45
CNR2 P34972 1/20 0.42
KMT2A Q03164 1/20 0.41
HSD11B1 P28845 1/20 0.41

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
SCHEMBL8969925 0.89 PRKCQ (0.65) KDM4EALDH1A1HSD17B10PRKCQPRKCA
SCHEMBL13857162 0.86 PRKCQ (0.55) KDM4EALDH1A1HSD17B10PRKCQPRKCA
SCHEMBL8969867 0.85 PRKCQ (0.67) KDM4EALDH1A1HSD17B10PRKCQPRKCA
SCHEMBL13857238 0.84 PRKCQ (0.55) PRKCQPRKCAPRKCD
SCHEMBL13857236 0.84 PRKCQ (0.57) PRKCQPRKCAPRKCD
SCHEMBL13857158 0.84 PRKCQ (0.55) KDM4EALDH1A1HSD17B10PRKCQPRKCA
SCHEMBL13857160 0.84 PRKCQ (0.56) KDM4EHSD17B10PRKCQPRKCAPRKCD
SCHEMBL13857179 0.84 PRKCQ (0.54) KDM4EALDH1A1HSD17B10PRKCQPRKCA
SCHEMBL13857189 0.84 PRKCQ (0.54) PRKCQPRKCAPRKCD
SCHEMBL13857184 0.83 PRKCQ (0.53) PRKCQPRKCAPRKCDHSD11B1

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 6 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-20110077237-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 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 (4 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 KDM4E 990/4885ALDH1A1 4211/4885HSD17B10 3343/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 KDM4E 990/4885ALDH1A1 4211/4885HSD17B10 3343/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 KDM4E 990/4885ALDH1A1 4211/4885HSD17B10 3343/4885
US-20110077237-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 KDM4E 990/4885ALDH1A1 4211/4885HSD17B10 3343/4885

“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.