SCHEMBL2960720

SCHEMBL2960720

CCOC(=O)c1sc2c(ccc(=O)n2-c2ccc(F)cc2)c1Nc1ccccc1C#N

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 4/20 0.38
LMNA P02545 4/20 0.38
NLRP3 Q96P20 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
MAPT P10636 3/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACHE P22303 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35

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
SCHEMBL1266311 0.93 MAPT (0.43) ALDH1A1GAAL3MBTL1KDM4ENLRP3
SCHEMBL3139324 0.90 FNTA (0.39) ALDH1A1GAAL3MBTL1KDM4ELMNA
SCHEMBL2950423 0.88 ALDH1A1 (0.37) ALDH1A1GAAL3MBTL1KDM4ELMNA
SCHEMBL2949269 0.88 FNTA (0.39) ALDH1A1KDM4ELMNAFNTAFNTB
SCHEMBL2949594 0.87 ALDH1A1 (0.39) ALDH1A1GAAL3MBTL1KDM4ELMNA
SCHEMBL2960764 0.87 LMNA (0.38) ALDH1A1KDM4ELMNAMAPTHPGD
SCHEMBL2958944 0.85 PRKCQ (0.36) ALDH1A1GAAL3MBTL1NLRP3FNTA
SCHEMBL2953715 0.84 MAPT (0.40) ALDH1A1GAAKDM4ENLRP3FNTA
SCHEMBL2950090 0.84 ALDH1A1 (0.37) ALDH1A1GAAL3MBTL1LMNANLRP3
SCHEMBL1266636 0.83 LMNA (0.36) ALDH1A1GAAL3MBTL1KDM4ELMNA

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 ALDH1A1 1045/4885GAA 4059/4885L3MBTL1 746/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 ALDH1A1 717/4885GAA 4234/4885L3MBTL1 684/4885

“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.