SCHEMBL2947310

SCHEMBL2947310

CCOC(=O)c1sc2nc(OCC3CC3)ccc2c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.42
HPGD P15428 7/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 7/20 0.40
ALDH1A1 P00352 6/20 0.40
GAA P10253 4/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
KMT2A Q03164 1/20 0.39
RELA Q04206 1/20 0.39
ACACB O00763 3/20 0.38
CNR2 P34972 1/20 0.38
DHODH Q02127 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 2/20 0.36
HSD17B10 Q99714 2/20 0.36

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
SCHEMBL28757207 0.85 ACACB (0.39) ACACBCNR2
SCHEMBL2952210 0.82 HPGD (0.48) KDM4EHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL3493882 0.79 KDM4E (0.50) KDM4EHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL2958474 0.77 DHODH (0.47) KDM4EHPGDRAB9ASMN1; SMN2MAPT
SCHEMBL3496061 0.77 KDM4E (0.48) KDM4EHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL1266041 0.74 KDM4E (0.56) KDM4EHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL3491232 0.74 KDM4E (0.46) KDM4EHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL3495000 0.73 KDM4E (0.45) KDM4EHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL13239827 0.73 KDM4E (0.44) KDM4EHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL13575329 0.71 KDM4E (0.43) KDM4EHPGDNPC1RAB9ASMN1; SMN2

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 KDM4E 2174/4885HPGD 3282/4885NPC1 2692/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 KDM4E 2211/4885HPGD 3563/4885NPC1 2803/4885

“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.