SCHEMBL1267006

SCHEMBL1267006

CCOC(=O)c1sc2c(ccc(=O)n2-c2ccccc2)c1Nc1ccc(F)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 12/20 0.44
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
MDM2 Q00987 1/20 0.39
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL2953040 0.93 ALDH1A1 (0.42) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL1266272 0.92 DHODH (0.40) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL1266180 0.92 ALDH1A1 (0.45) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL1266134 0.91 DHODH (0.44) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL1266727 0.89 DHODH (0.34) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL2958676 0.89 ALDH1A1 (0.47) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL1266478 0.89 CHRNA7 (0.35) DHODHMAPTMEN1KMT2APOLB
Ammonia Solution, Strong SCHEMBL2958892 0.89 CHRNA7 (0.35) DHODHMAPTMEN1KMT2APOLB
SCHEMBL2947103 0.89 DHODH (0.40) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL2952947 0.89 DHODH (0.43) DHODHMAPTMEN1KMT2AALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034495-A1 Method of Modulating Stress-Activated Protein Kinase System INTERMUNE, INC. (US) 2011-02-10 US disclosed
US-7763729-B2 Bicyclic heteroaromatic derivatives UCB PHARMA S.A. (BE) 2010-07-27 US disclosed
US-7521460-B2 Thienopyridone derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2009-04-21 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-20070099894-A1 e.g. 3-[(2,4-Difluorophenyl)amino]-2-{[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl}-7-phenylthieno[2,3-b]pyridin-6(7H)-one; autoimmune, neurodegenerative disorders, antiinflammatory agent; p38 MAP kinase inhibitor CELLTECH R&D LIMITED (GB) 2007-05-03 US disclosed
US-20060247269-A1 Thienopyridone derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2006-11-02 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 (5 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-20110034495-A1 Method of Modulating Stress-Activated Protein Kinase System MAPKAPK2, MAP3K6, MAP3K2 DHODH 3819/4885MAPT 2018/4885MEN1 4806/4885
US-20060247269-A1 Thienopyridone derivatives as kinase inhibitors MAPKAPK2, MAP3K6, MAP3K12 DHODH 1383/4885MAPT 1413/4885MEN1 4725/4885
US-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors MAPK1, CNKSR1, ALK DHODH 3134/4885MAPT 4305/4885MEN1 4273/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 DHODH 3227/4885MAPT 4495/4885MEN1 3906/4885
US-20070099894-A1 e.g. 3-[(2,4-Difluorophenyl)amino]-2-{[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl}-7-phenylthieno[2,3-b]pyridin-6(7H)-one; autoimmune, neurodegenerative disorders, antiinflammatory agent; p38 MAP kinase inhibitor MAPK1, MAPKAPK2, MAPK6 DHODH 2124/4885MAPT 148/4885MEN1 4147/4885

“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.