SCHEMBL8964631

SCHEMBL8964631

CN(CC(O)c1ccccc1)c1cccc(C(=O)c2cncc(Br)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 1/20 0.40
PRKDC P78527 1/20 0.40
RAB9A P51151 3/20 0.39
MAPK1 P28482 1/20 0.37
MKNK1 Q9BUB5 3/20 0.36
POLB P06746 2/20 0.36
HCAR2 Q8TDS4 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
EGFR P00533 1/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CASP3 P42574 1/20 0.35

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
SCHEMBL9010876 0.81 MKNK1 (0.39) SMN1; SMN2PRKDCMKNK1MEN1KMT2A
SCHEMBL15930668 0.67 HTT (0.51) HTTALOX15SMN1; SMN2MAPTRAB9A
SCHEMBL26340404 0.67 HTT (0.45) HTTALOX15SMN1; SMN2MAPTRAB9A
SCHEMBL2952630 0.66 HTT (1.00) HTTALOX15SMN1; SMN2MAPTRAB9A
SCHEMBL4339397 0.64 AOC3 (0.53) SMN1; SMN2PRKDCMAPK1MKNK1MEN1
SCHEMBL25047194 0.64 SMN1; SMN2 (0.49) HTTALOX15SMN1; SMN2MAPTRAB9A
SCHEMBL25047191 0.64 SMN1; SMN2 (0.49) HTTALOX15SMN1; SMN2MAPTRAB9A
SCHEMBL5213167 0.62 CKS1B (0.49) PRKDCRAB9AMKNK1MEN1KMT2A
SCHEMBL22569116 0.62 HTT (0.78) HTTALOX15SMN1; SMN2MAPTRAB9A
Cadaverine Tartrate SCHEMBL27897221 0.62 HTT (0.67) HTTALOX15SMN1; SMN2MAPTRAB9A

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 2 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-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 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 (1 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 HTT 983/4885ALOX15 4285/4885SMN1; SMN2 1649/4885

“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.