SCHEMBL2954063

SCHEMBL2954063

N#Cc1ccccc1Nc1c(C(N)=O)sc2c1ccc(=O)n2-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.37
CXCR2 P25025 1/20 0.35
THRB P10828 2/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 2/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 3/20 0.34
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.32
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
NLRP3 Q96P20 1/20 0.32
TSHR P16473 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL2960764 0.92 LMNA (0.38) USP2CXCR2THRBALDH1A1KDM4E
SCHEMBL1265882 0.91 USP2 (0.37) USP2CXCR2THRBALDH1A1HSD17B10
SCHEMBL2952402 0.89 THRB (0.33) CXCR2THRBALDH1A1GAAKDM4E
Lithium Ion SCHEMBL1265878 0.89 USP2 (0.36) USP2CXCR2THRBALDH1A1HSD17B10
SCHEMBL2957997 0.89 GRM2 (0.37) USP2CXCR2ALDH1A1HSD17B10GAA
SCHEMBL4579752 0.88 LMNA (0.32) THRBALDH1A1GAALMNATP53
SCHEMBL1266311 0.85 MAPT (0.43) THRBALDH1A1GAAKDM4EKMT2A
SCHEMBL2952215 0.85 ALDH1A1 (0.35) ALDH1A1HSD17B10GAAKDM4ELMNA
SCHEMBL2958045 0.85 CXCR2 (0.39) CXCR2THRBALDH1A1HSD17B10GAA
SCHEMBL2958842 0.85 MAP3K11 (0.36) THRB

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 7 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
EP-2217610-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS Achaogen, Inc. (US) 2010-08-18 EP disclosed
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 USP2 3559/4885CXCR2 658/4885THRB 749/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 USP2 3498/4885CXCR2 436/4885THRB 1114/4885

“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.