SCHEMBL2958045

SCHEMBL2958045

NC(=O)c1sc2c(ccc(=O)n2-c2ccccc2)c1Nc1ccccc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 5/20 0.39
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 4/20 0.36
HPGD P15428 4/20 0.36
GAA P10253 3/20 0.36
MEN1 O00255 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 2/20 0.36
LIMK1 P53667 1/20 0.34
THRB P10828 1/20 0.33
IKBKB O14920 1/20 0.32
TERT O14746 1/20 0.32
KDM1A O60341 1/20 0.32
PKM P14618 1/20 0.31
RECQL P46063 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
TTR P02766 1/20 0.31

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
SCHEMBL2958686 0.88 CXCL8 (0.36) CXCR2ALDH1A1KMT2AMAPTHPGD
SCHEMBL2958575 0.86 CDK4 (0.38) CXCR2ALDH1A1KMT2AMAPTHPGD
SCHEMBL2954063 0.85 USP2 (0.37) CXCR2ALDH1A1KMT2AHPGDGAA
SCHEMBL2951770 0.83 C1R (0.37) MAPTGAAPOLB
SCHEMBL2952207 0.83 KMT2A (0.35) ALDH1A1KMT2AMAPTHPGDMEN1
SCHEMBL2955772 0.83 CYP3A4 (0.39) CXCR2ALDH1A1KMT2AMAPTMEN1
SCHEMBL2956528 0.82 RORC (0.36) ALDH1A1KMT2AMAPTHPGDMEN1
SCHEMBL2949772 0.82 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTGAAMEN1
SCHEMBL2955899 0.81 CSF1R (0.39) ALDH1A1KMT2AMAPTHPGDGAA
SCHEMBL2952215 0.81 ALDH1A1 (0.35) ALDH1A1KMT2AMAPTHPGDGAA

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 CXCR2 658/4885ALDH1A1 1045/4885KMT2A 1316/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 CXCR2 436/4885ALDH1A1 717/4885KMT2A 1383/4885

“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.