SCHEMBL2956431

SCHEMBL2956431

CCOC(=O)c1sc2[nH]c(=O)ccc2c1Nc1ccc(F)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 15/20 0.46
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BRAF P15056 1/20 0.38
EIF2AK3 Q9NZJ5 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38

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
SCHEMBL2948992 0.83 DHODH (0.51) DHODHLMNAKDM4EALDH1A1MAPT
SCHEMBL1267006 0.75 DHODH (0.44) DHODHALDH1A1MAPTMEN1KMT2A
SCHEMBL2953040 0.75 ALDH1A1 (0.42) DHODHLMNAKDM4EALDH1A1MAPT
SCHEMBL1266180 0.74 ALDH1A1 (0.45) DHODHLMNAKDM4EALDH1A1MAPT
SCHEMBL2947103 0.73 DHODH (0.40) DHODHLMNAKDM4EALDH1A1MAPT
SCHEMBL1266272 0.73 DHODH (0.40) DHODHLMNAKDM4EALDH1A1MAPT
SCHEMBL5653775 0.73 CDC7 (0.41) LMNAKDM4EALDH1A1MAPTMEN1
SCHEMBL1266729 0.73 MAPT (0.46) DHODHLMNAKDM4EALDH1A1MAPT
SCHEMBL5648088 0.73 MAPT (0.49) LMNAKDM4EALDH1A1MAPTMEN1
SCHEMBL2958474 0.71 DHODH (0.47) DHODHLMNAKDM4EALDH1A1MAPT

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 DHODH 3134/4885LMNA 3193/4885KDM4E 2174/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 DHODH 3227/4885LMNA 3052/4885KDM4E 2211/4885

“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.