SCHEMBL2955002

SCHEMBL2955002

CCOC(=O)c1sc2c(ccc(=O)n2-c2ccccc2)c1Nc1cccc(C)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.44
FNTB P49356 3/20 0.44
MAPT P10636 8/20 0.43
ALDH1A1 P00352 8/20 0.43
KMT2A Q03164 7/20 0.43
MEN1 O00255 6/20 0.43
HPGD P15428 3/20 0.43
BRAF P15056 1/20 0.42
KDM4E B2RXH2 4/20 0.39
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
MDM2 Q00987 1/20 0.38
MAPK1 P28482 1/20 0.36
BRCA1 P38398 1/20 0.36
RXFP1 Q9HBX9 1/20 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
SCHEMBL2949269 0.92 FNTA (0.39) FNTAFNTBMAPTALDH1A1KMT2A
SCHEMBL2959775 0.91 FNTA (0.43) FNTAFNTBMAPTALDH1A1KMT2A
SCHEMBL2952215 0.88 ALDH1A1 (0.35) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL1266311 0.88 MAPT (0.43) FNTAFNTBMAPTALDH1A1KMT2A
SCHEMBL2953715 0.83 MAPT (0.40) FNTAFNTBMAPTALDH1A1KMT2A
SCHEMBL1266639 0.83 MAPT (0.51) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL2960362 0.83 FNTA (0.48) FNTAFNTBMAPTALDH1A1KMT2A
SCHEMBL2950371 0.83 MAPT (0.46) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL1266980 0.82 FNTA (0.46) FNTAFNTBMAPTALDH1A1KMT2A
SCHEMBL2950128 0.82 FNTA (0.39) FNTAFNTBMAPTALDH1A1KMT2A

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 1417/4885MAPT 4305/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 FNTA 3146/4885FNTB 1138/4885MAPT 4495/4885

“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.