SCHEMBL2950128

SCHEMBL2950128

CCOC(=O)c1sc2c(ccc(=O)n2CC2CC2)c1Nc1cccc(C)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.39
FNTB P49356 4/20 0.39
BRAF P15056 1/20 0.38
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.36
KMT2A Q03164 3/20 0.36
CNR2 P34972 2/20 0.36
MEN1 O00255 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
RXFP1 Q9HBX9 1/20 0.35
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL2958791 0.89 TNKS (0.36) CNR2TNKSTNKS2LMNARAB9A
SCHEMBL2955002 0.82 FNTA (0.44) FNTAFNTBBRAFALDH1A1MAPT
SCHEMBL1266627 0.81 MAPT (0.44) FNTAFNTBALDH1A1MAPTKMT2A
SCHEMBL2949269 0.80 FNTA (0.39) FNTAFNTBBRAFALDH1A1MAPT
SCHEMBL2955822 0.79 CNR2 (0.40) ALDH1A1MAPTCNR2NPSR1HPGD
SCHEMBL2960077 0.79 MAP2K1 (0.39) ALDH1A1MAPTCNR2HPGDRXFP1
SCHEMBL1266481 0.75 CNR2 (0.40) ALDH1A1MAPTKMT2ACNR2MEN1
SCHEMBL2781580 0.75 CNR2 (0.43) ALDH1A1MAPTKMT2ACNR2MEN1
SCHEMBL2959775 0.74 FNTA (0.43) FNTAFNTBBRAFALDH1A1MAPT
SCHEMBL5651283 0.74 MAPK8 (0.40) ALDH1A1MAPTKMT2ACNR2MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423047-B2 Arylamine substituted bicyclic heteroaromatic compounds as p38 kinase inhibitors CELLTECH R&D LIMITED (GB) 2008-09-09 US claimed
US-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors UCB PHARMA S.A. (BE) 2006-01-05 US claimed
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 FNTA 3289/4885FNTB 1417/4885BRAF 79/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 FNTA 3146/4885FNTB 1138/4885BRAF 62/4885

“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.