SCHEMBL8970244

SCHEMBL8970244

Nc1ncc(Br)cc1C(=O)c1cccc(N2CCCN(C(=O)c3ccccc3Cl)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 10/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
HSD17B10 Q99714 3/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
GBA1 P04062 1/20 0.47
PRKCA P17252 2/20 0.47
PRKCD Q05655 2/20 0.47
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8964904 0.87 GBA1 (0.49) PRKCQGBA1PRKCAPRKCD
SCHEMBL8970168 0.86 PRKCQ (0.49) PRKCQKMT2AMEN1GBA1PRKCA
SCHEMBL8964901 0.84 GBA1 (0.48) PRKCQKMT2AMEN1HSD17B10KDM4E
SCHEMBL9010401 0.83 PRKCQ (0.53) PRKCQKDM4EALDH1A1PRKCAPRKCD
SCHEMBL8969876 0.83 PRKCQ (0.53) PRKCQPRKCAPRKCD
SCHEMBL8969884 0.83 PRKCQ (0.53) PRKCQKDM4EALDH1A1PRKCAPRKCD
SCHEMBL8969734 0.83 PRKCQ (0.55) PRKCQPRKCAPRKCD
SCHEMBL8965113 0.83 PRKCQ (0.55) PRKCQPRKCAPRKCD
SCHEMBL8970084 0.83 PRKCQ (0.49) PRKCQKDM4EALDH1A1GBA1PRKCA
SCHEMBL8970028 0.82 PRKCQ (0.71) PRKCQPRKCAPRKCD

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 38/4885KMT2A 1042/4885MEN1 1427/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885KMT2A 1042/4885MEN1 1427/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885KMT2A 1042/4885MEN1 1427/4885

“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.