SCHEMBL10124769

SCHEMBL10124769

CC(=O)Oc1ccc(Nc2cnc(Br)cn2)c(N)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
F2 P00734 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
HDAC3 O15379 1/20 0.35
NCOR1 O75376 1/20 0.35
MAPK8 P45983 1/20 0.35
HSP90AA1 P07900 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
EGFR P00533 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 4/20 0.33
FLT3 P36888 1/20 0.33
PKM P14618 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 2/20 0.33

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
SCHEMBL645693 0.83 EGFR (0.47) ALDH1A1HPGDGAAMAPTEGFR
SCHEMBL10124771 0.81 AKR1C3 (0.42) ALDH1A1HPGDGAAMAPTNPC1
SCHEMBL646550 0.79 GAA (0.47) ALDH1A1GLAHPGDGAAMAPT
SCHEMBL7986433 0.72 GAA (0.62) ALDH1A1GLAHPGDHSP90AA1GAA
SCHEMBL6498572 0.71 KDM4E (0.52) ALDH1A1GLAHPGDHDAC3GAA
SCHEMBL8050071 0.71 EGFR (0.30) EGFR
SCHEMBL1870060 0.69 OR51E2 (0.41) ALDH1A1GLAHPGDHSP90AA1GAA
SCHEMBL10188125 0.68 EGFR (0.47) ALDH1A1GAAMAPTEGFRNPC1
SCHEMBL8065331 0.68 EGFR (0.47) ALDH1A1HPGDMAPK8GAAMAPT
SCHEMBL7412971 0.67 ALDH1A1 (0.49) ALDH1A1F2GLAHPGDHSP90AA1

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-8119643-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-02-21 US disclosed
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-10-25 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-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 ALDH1A1 3637/4885F2 741/4885GLA 570/4885

“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.