SCHEMBL2950002

SCHEMBL2950002

CCOC(=O)c1sc2c(ccc(=O)n2-c2ccsc2)c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
IDO1 P14902 1/20 0.38
ELANE P08246 2/20 0.37
MAPT P10636 6/20 0.37
ADORA2B P29275 3/20 0.36
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 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
SCHEMBL1265770 0.85 ALDH1A1 (0.50) IDO1MAPTALDH1A1KDM4EGAA
SCHEMBL1265759 0.85 MAPT (0.52) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL1266825 0.83 MAPT (0.41) IDO1MAPTALDH1A1KDM4EGAA
SCHEMBL1266318 0.83 ALDH1A1 (0.54) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL5652065 0.83 MAPT (0.41) CDC7DBF4MAPTALDH1A1KDM4E
SCHEMBL2958569 0.82 MAPT (0.43) CDC7DBF4MAPTALDH1A1KDM4E
SCHEMBL2957990 0.82 MAPT (0.39) IDO1MAPTALDH1A1KDM4EGAA
SCHEMBL2953296 0.82 MEN1 (0.51) IDO1MAPTALDH1A1GAAHPGD
SCHEMBL1266876 0.82 ALDH1A1 (0.43) ELANEMAPTALDH1A1KDM4EGAA
SCHEMBL2956836 0.82 MAPT (0.45) IDO1MAPTALDH1A1KDM4EGAA

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-7763729-B2 Bicyclic heteroaromatic derivatives UCB PHARMA S.A. (BE) 2010-07-27 US disclosed
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives CELLTECH R&D LIMITED (GB) 2009-02-12 US disclosed
US-7423047-B2 Arylamine substituted bicyclic heteroaromatic compounds as p38 kinase inhibitors CELLTECH R&D LIMITED (GB) 2008-09-09 US disclosed
US-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors UCB PHARMA S.A. (BE) 2006-01-05 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 (2 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-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors MAPK1, CNKSR1, ALK CDC7 731/4885DBF4 2506/4885IDO1 100/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 CDC7 869/4885DBF4 2548/4885IDO1 215/4885

“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.