Sugi Predict

Sugi Predict / Compounds / SCHEMBL4215082

SCHEMBL4215082

SCHEMBL4215082

COC(=O)c1ccc(C(=O)c2ccc(Br)cc2F)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ DGAT1 O75907 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.41
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL4220318 0.84 P4HTM (0.50) KDM4EDGAT1HSD17B10ALDH1A1GAA
SCHEMBL236631 0.78 MAPK1 (0.44) MAPK1KDM4EL3MBTL1HSD17B10TSHR
SCHEMBL4222920 0.77 NNMT (0.49) DGAT1NPC1RAB9AKMT2AHPGD
SCHEMBL206342 0.76 DGAT1 (0.59) KDM4EL3MBTL1DGAT1HSD17B10ABCG2
Iodomethane SCHEMBL5739657 0.73 DGAT1 (0.56) KDM4EL3MBTL1DGAT1HSD17B10ABCG2
SCHEMBL29508473 0.73 MAPK1 (1.00) MAPK1KDM4EL3MBTL1TSHRALDH1A1
SCHEMBL69747 0.73 MAPK1 (1.00) MAPK1KDM4EL3MBTL1TSHRALDH1A1
SCHEMBL5707131 0.72 HSD17B10 (0.44) KDM4EL3MBTL1DGAT1HSD17B10ABCG2
SCHEMBL24891951 0.72 MAPK1 (0.62) MAPK1KDM4EL3MBTL1ALDH1A1NPC1
SCHEMBL30182827 0.72 MAPK1 (0.62) MAPK1KDM4EL3MBTL1ALDH1A1NPC1

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-20090023725-A1 Fused Heteroaryl Derivatives for Use as P38 Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-22 — — US disclosed
US-20090023725-A1 Fused Heteroaryl Derivatives for Use as P38 Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-22 — — US disclosed
US-20090023725-A1 Fused Heteroaryl Derivatives for Use as P38 Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-22 — — US disclosed
EP-1708996-B1 FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-08-27 — — EP disclosed
EP-1708996-A1 FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 — — EP disclosed
WO-2005073189-A1 FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-11 — — WO 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 (1 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-20090023725-A1 Fused Heteroaryl Derivatives for Use as P38 Kinase Inhibitors MAPK1, MAPKAPK2, MAPK7 MAPK1 1/4885KDM4E 4742/4885L3MBTL1 1859/4885

“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.