Sugi Predict

Sugi Predict / Compounds / SCHEMBL1266975

SCHEMBL1266975

SCHEMBL1266975

O=C(c1sc2c(ccc(=O)n2-c2ccccc2Cl)c1Nc1ccc(F)cc1F)N1CC[C@H](OC2CCCCO2)C1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 8/20 0.33
▸ MAPK11 Q15759 2/20 0.32
▸ MAPK13 O15264 1/20 0.32
▸ MAPK12 P53778 1/20 0.32
▸ C5AR1 P21730 1/20 0.32
▸ MGLL Q99685 1/20 0.32
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CCNA1 P78396 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ CDK5R1 Q15078 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KCNK3 O14649 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ CNR1 P21554 1/20 0.30
▸ TRPA1 O75762 2/20 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
SCHEMBL1266654 1.00 MAPK14 (0.33) MAPK14MAPK11MAPK13MAPK12C5AR1
SCHEMBL1266485 0.89 MAPK14 (0.32) MAPK14MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1267319 0.89 MAPK14 (0.32) MAPK14MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1266859 0.88 MAPK14 (0.31) MAPK14CCNA2CDK2CCNA1CDK5
SCHEMBL1266985 0.86 MAPT (0.38) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL1265809 0.85 MAPK14 (0.33) MAPK14MAPK11MAPK13MAPK12
SCHEMBL1267180 0.85 MAPK14 (0.37) MAPK14MAPK11MAPK13MAPK12C5AR1
SCHEMBL1265729 0.85 MAPK14 (0.37) MAPK14MAPK11MAPK13MAPK12C5AR1
SCHEMBL1267428 0.83 CCNA2 (0.32) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL1266306 0.83 CCNA2 (0.32) CCNA2CDK2CCNA1CDK5CDK5R1

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 51/4885MAPK11 168/4885MAPK13 50/4885
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 13/4885MAPK11 41/4885MAPK13 16/4885

“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.