SCHEMBL18239774

SCHEMBL18239774

CC(=O)Nc1cc2cc(Br)ccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.56
RAB9A P51151 3/20 0.52
NPC1 O15118 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 3/20 0.42
HSP90AA1 P07900 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.40
CLK1 P49759 1/20 0.39

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
SCHEMBL18230189 0.85 LMNA (0.49) DYRK1ARAB9ANPC1CYP1A2CYP3A4
SCHEMBL18230195 0.80 LMNA (0.45) DYRK1ARAB9ANPC1CYP1A2CYP3A4
SCHEMBL10816508 0.78 PKM (0.52) DYRK1ARAB9ANPC1CYP1A2GAA
SCHEMBL28469540 0.78 HSP90AA1 (0.47) DYRK1ARAB9ANPC1CYP1A2CYP3A4
SCHEMBL121775 0.75 LMNA (0.69) DYRK1ARAB9ANPC1CYP1A2CYP3A4
SCHEMBL5229048 0.73 LMNA (0.50) DYRK1ARAB9ANPC1CYP1A2CYP3A4
SCHEMBL18230367 0.73 ALOX15 (0.46) DYRK1ARAB9ANPC1CYP1A2CYP3A4
SCHEMBL29799855 0.72 DYRK1A (0.55) DYRK1ACYP1A2CYP3A4GAAPKM
SCHEMBL26963138 0.72 DYRK1A (0.55) DYRK1ACYP1A2CYP3A4GAAPKM
SCHEMBL856499 0.72 DYRK1A (1.00) DYRK1ARAB9ANPC1CYP1A2CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 US disclosed
US-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 US disclosed
US-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 US disclosed
WO-2016180537-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 WO 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-20180118718-A1 Substituted Quinoxaline Derivatives BRCA1, NQO2, NQO1 DYRK1A 641/4885RAB9A 1511/4885NPC1 2816/4885

“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.