SCHEMBL8969817

SCHEMBL8969817

Nc1ncccc1C(=O)c1cccc(N2CCCN(C(=O)Cc3ccccc3Cl)CC2)n1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 18/20 0.62
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 1/20 0.59
KMT2A Q03164 1/20 0.59
PRKCA P17252 3/20 0.58
PRKCD Q05655 3/20 0.58
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL13857194 0.90 ALDH1A1 (0.59) PRKCQALDH1A1KDM4EKMT2APRKCA
SCHEMBL8969827 0.88 PRKCQ (0.67) PRKCQKDM4EPRKCAPRKCD
SCHEMBL8969670 0.85 PRKCQ (0.73) PRKCQPRKCAPRKCD
SCHEMBL8969640 0.83 PRKCQ (0.66) PRKCQKDM4EPRKCAPRKCDHPGD
SCHEMBL8969641 0.83 PRKCQ (0.62) PRKCQALDH1A1KDM4EPRKCAPRKCD
SCHEMBL9007648 0.83 PRKCQ (0.62) PRKCQALDH1A1KDM4EPRKCAPRKCD
SCHEMBL8963346 0.82 ALDH1A1 (0.56) PRKCQALDH1A1KDM4EKMT2AHPGD
SCHEMBL8969883 0.82 PRKCQ (0.67) PRKCQPRKCAPRKCD
SCHEMBL8969867 0.82 PRKCQ (0.67) PRKCQALDH1A1KDM4EPRKCAPRKCD
SCHEMBL8969766 0.82 PRKCQ (0.69) PRKCQALDH1A1PRKCAPRKCDHPGD

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 7 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-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
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 38/4885ALDH1A1 4211/4885KDM4E 990/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885ALDH1A1 4211/4885KDM4E 990/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885ALDH1A1 4211/4885KDM4E 990/4885

“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.