SCHEMBL4579752

SCHEMBL4579752

C[S+]([O-])c1ccc(-n2c(=O)ccc3c(Nc4ccccc4C#N)c(C(N)=O)sc32)cc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 2/20 0.31
GAA P10253 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
TSHR P16473 1/20 0.30
PDE7A Q13946 1/20 0.30

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
SCHEMBL2950423 0.88 ALDH1A1 (0.37) LMNATP53GAAALDH1A1
SCHEMBL2954063 0.88 USP2 (0.37) LMNATP53THRBGAAALDH1A1
SCHEMBL2960764 0.87 LMNA (0.38) LMNATP53THRBALDH1A1MAPK1
SCHEMBL2952402 0.82 THRB (0.33) LMNATP53THRBGAAALDH1A1
Lithium Ion SCHEMBL1265878 0.80 USP2 (0.36) LMNATP53THRBGAAALDH1A1
SCHEMBL2957997 0.80 GRM2 (0.37) TP53GAAALDH1A1
SCHEMBL2958842 0.80 MAP3K11 (0.36) THRB
SCHEMBL1265882 0.80 USP2 (0.37) LMNATP53THRBGAAALDH1A1
SCHEMBL2952215 0.77 ALDH1A1 (0.35) LMNATP53GAAALDH1A1TSHR
SCHEMBL1266311 0.77 MAPT (0.43) THRBGAAALDH1A1

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-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-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 (1 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 LMNA 3193/4885TP53 3118/4885THRB 749/4885

“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.