SCHEMBL2956401

SCHEMBL2956401

NC(=O)c1sc2c(ccc(=O)n2-c2ccccc2[N+](=O)[O-])c1Nc1ccc(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
UBE2N P61088 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.35
CSF1R P07333 4/20 0.35
MAPK14 Q16539 3/20 0.34
KCNMA1 Q12791 1/20 0.33
XBP1 P17861 1/20 0.33
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 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
SCHEMBL2954147 0.92 MAPK1 (0.37) MAPK1L3MBTL1MKNK1UBE2NKMT2A
SCHEMBL2958204 0.88 MAPT (0.38) MAPK1L3MBTL1MKNK1KMT2AMAPT
SCHEMBL2959273 0.87 ALDH1A1 (0.38) KMT2AMAPTALDH1A1CSF1RMAPK14
SCHEMBL2949772 0.84 ALDH1A1 (0.43) L3MBTL1KMT2AMAPTALDH1A1CSF1R
Lithium Ion SCHEMBL1267169 0.77 ALDH1A1 (0.42) L3MBTL1KMT2AMAPTALDH1A1MAPK14
Ammonia Solution, Strong SCHEMBL2949465 0.75 ALDH1A1 (0.44) L3MBTL1KMT2AMAPTALDH1A1MAPK14
SCHEMBL1267170 0.75 ALDH1A1 (0.44) L3MBTL1KMT2AMAPTALDH1A1MAPK14
SCHEMBL5652682 0.75 FBP1 (0.38) KMT2AMAPTALDH1A1KCNH2
SCHEMBL2947364 0.74 CHRNA7 (0.40) KMT2AALDH1A1CSF1R
SCHEMBL2958948 0.73 MAPK9 (0.40) CSF1RKCNH2SCN5A

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 MAPK1 1/4885L3MBTL1 746/4885MKNK1 780/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 MAPK1 1/4885L3MBTL1 684/4885MKNK1 1374/4885

“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.