SCHEMBL2782016

SCHEMBL2782016

COc1cccc(C(=O)c2c(Br)sc3c2ccc(=O)n3-c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.42
HPGD P15428 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
DRD4 P21917 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 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
SCHEMBL2783400 0.88 CCNA2 (0.44) MAPK8HPGDNPC1RAB9ABCHE
SCHEMBL2782491 0.86 POLB (0.40) HPGDNPC1RAB9ABCHEPOLB
SCHEMBL2783149 0.85 ALDH1A1 (0.40) HPGDNPC1RAB9AMAPK14KDM4E
SCHEMBL2780974 0.84 ADORA2A (0.42) MAPK8NPC1RAB9AADORA2AADORA1
SCHEMBL2781158 0.84 MAPK8 (0.40) MAPK8HPGDNPC1RAB9ABCHE
SCHEMBL2781105 0.80 LMNA (0.38) HPGDCES2CES1ALDH1A1MAPT
SCHEMBL2781235 0.79 PTGFR (0.38) MAPK8ALDH1A1MAPTKMT2A
SCHEMBL2782849 0.78 KDM4E (0.41) MAPK8HPGDADORA2AKDM4EDRD4
SCHEMBL2781961 0.78 MAPK14 (0.39) HPGDMAPK14CDK2KDM4EALDH1A1
SCHEMBL2779034 0.78 TOP2A (0.39) MAPK8HPGDNPC1RAB9AADORA1

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-7795256-B2 Thieno-pyridinone derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2010-09-14 US disclosed
US-20070078131-A1 Thieno-pyridinone derivatives as kinase inhibitors CELLTECH R&D LIMITED (GB) 2007-04-05 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 (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-20070078131-A1 Thieno-pyridinone derivatives as kinase inhibitors MAP3K6, MAP4K2, MAP3K15 MAPK8 35/4885HPGD 459/4885NPC1 3450/4885

“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.