SCHEMBL2953748

SCHEMBL2953748

CCOC(=O)c1sc2c(ccc(=O)n2-c2ccc(O[Si](C)(C)C(C)(C)C)cc2)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 9/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 6/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 3/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATM Q13315 1/20 0.35
IDO1 P14902 1/20 0.34
HTT P42858 3/20 0.34
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 2/20 0.34

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) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL2956160 0.84 MAPT (0.41) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL1266318 0.83 ALDH1A1 (0.54) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL1266825 0.83 MAPT (0.41) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL1265759 0.82 MAPT (0.52) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL2957990 0.81 MAPT (0.39) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL2953296 0.81 MEN1 (0.51) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL2956836 0.81 MAPT (0.45) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL2952416 0.81 THRB (0.37) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL2958963 0.80 MAPT (0.39) MAPTCYP1A2CYP2C9CYP2C19CYP3A4

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 MAPT 4305/4885CYP1A2 351/4885CYP2C9 966/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 MAPT 4495/4885CYP1A2 378/4885CYP2C9 1048/4885

“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.