SCHEMBL9010876

SCHEMBL9010876

CN(CC(O)c1ccccc1)c1cccc(C(=O)c2cc(Br)cnc2N)n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 8/20 0.39
PRKDC P78527 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
AOC3 Q16853 4/20 0.36
LDHA P00338 1/20 0.32
LDHB P07195 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL8964631 0.81 HTT (0.46) MKNK1PRKDCMEN1KMT2ASMN1; SMN2
SCHEMBL8964806 0.77 GBA1 (0.36)
SCHEMBL8964814 0.76 CHRM2 (0.45) MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL8965341 0.73 OPRK1 (0.40) MEN1KMT2ASMN1; SMN2
SCHEMBL1479539 0.73 HTT (0.39) MEN1KMT2ASMN1; SMN2
SCHEMBL1481581 0.71 HTT (0.37) KMT2A
SCHEMBL9010927 0.69 ATR (0.38) PRKDCMEN1KMT2A
SCHEMBL1516765 0.67 MAPT (0.61) MEN1KMT2ASMN1; SMN2
SCHEMBL8964299 0.65 PRKCQ (0.51)
SCHEMBL15930766 0.65 PKM (0.50) MEN1KMT2AKDM4ESMN1; SMN2

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 9 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-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-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-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
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 MKNK1 44/4885PRKDC 28/4885MEN1 1427/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 MKNK1 44/4885PRKDC 28/4885MEN1 1427/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 MKNK1 44/4885PRKDC 28/4885MEN1 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.