SCHEMBL2958441

SCHEMBL2958441

CCOC(=O)c1sc2c(ccc(=O)n2Cc2ccccc2)c1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MAPK1 P28482 1/20 0.55
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TSHR P16473 2/20 0.46
KDR P35968 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
POLB P06746 2/20 0.43
ATM Q13315 1/20 0.43
ADORA2B P29275 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42

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
SCHEMBL12895308 0.86 ALDH1A1 (0.42) ALDH1A1MAPK1MEN1KMT2AMAPT
SCHEMBL5651454 0.86 ALDH1A1 (0.54) ALDH1A1MAPK1MEN1KMT2AMAPT
SCHEMBL2952262 0.84 ALDH1A1 (0.52) ALDH1A1MAPK1MEN1KMT2AMAPT
SCHEMBL1265759 0.82 MAPT (0.52) ALDH1A1MAPK1MEN1KMT2AMAPT
SCHEMBL5651499 0.80 MDM2 (0.51) ALDH1A1MAPK1MEN1KMT2AMAPT
SCHEMBL1266481 0.80 CNR2 (0.40) ALDH1A1MAPK1MEN1KMT2AMAPT
SCHEMBL12895309 0.80 RXFP1 (0.43) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL5650191 0.79 ALDH1A1 (0.47) ALDH1A1MAPK1MEN1KMT2AMAPT
SCHEMBL6036420 0.78 CNR2 (0.39) ALDH1A1MAPK1MEN1KMT2ATSHR
SCHEMBL2953760 0.78 ADORA2B (0.43) ALDH1A1MEN1KMT2AMAPTLMNA

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 ALDH1A1 1045/4885MAPK1 1/4885MEN1 4273/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 ALDH1A1 717/4885MAPK1 1/4885MEN1 3906/4885

“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.