SCHEMBL1266485

SCHEMBL1266485

O=C(c1sc2c(ccc(=O)n2-c2ccc(F)cc2)c1Nc1ccc(F)cc1F)N1CC[C@H](OC2CCCCO2)C1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.32
ALDH1A1 P00352 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KCNH2 Q12809 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MEN1 O00255 3/20 0.30
KMT2A Q03164 3/20 0.30
CSF1R P07333 1/20 0.30
MAPK9 P45984 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL1267319 1.00 MAPK14 (0.32) MAPK14ALDH1A1RXFP1KCNH2HRH3
SCHEMBL1266654 0.89 MAPK14 (0.33) MAPK14ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1266975 0.89 MAPK14 (0.33) MAPK14ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1265295 0.89 ALDH1A1 (0.33) MAPK14ALDH1A1RXFP1MEN1KMT2A
SCHEMBL1267029 0.85 POLB (0.33) ALDH1A1RXFP1KCNH2HRH3
SCHEMBL1266607 0.85 POLB (0.33) ALDH1A1RXFP1KCNH2HRH3
SCHEMBL1266902 0.84 HTR7 (0.32) MAPK14ALDH1A1RXFP1HRH3CSF1R
SCHEMBL1265858 0.83 MAP2K1 (0.38) ALDH1A1KCNH2KMT2ACSF1RSMN1; SMN2
SCHEMBL1267450 0.83 MAP2K1 (0.38) ALDH1A1KCNH2KMT2ACSF1RSMN1; SMN2
SCHEMBL3835719 0.83 MAPT (0.32) ALDH1A1SMN1; SMN2

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 3 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-7521460-B2 Thienopyridone derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2009-04-21 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

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-20110034495-A1 Method of Modulating Stress-Activated Protein Kinase System MAPKAPK2, MAP3K6, MAP3K2 MAPK14 51/4885ALDH1A1 4333/4885RXFP1 3857/4885
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 MAPK14 13/4885ALDH1A1 2989/4885RXFP1 3508/4885

“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.