Sugi Predict

Sugi Predict / Compounds / SCHEMBL4863962

SCHEMBL4863962

SCHEMBL4863962

CN(C)CCONC(=O)c1cc(Br)c(F)c(F)c1Nc1ccc(I)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 18/20 0.56
▸ MAP2K2 P36507 4/20 0.56
▸ CSNK2A2 P19784 2/20 0.52
▸ RAF1 P04049 1/20 0.52
▸ PDGFRB P09619 1/20 0.52
▸ CSNK2B P67870 1/20 0.52
▸ CSNK2A1 P68400 1/20 0.52
▸ CSNK2A3 Q8NEV1 1/20 0.52
▸ AURKC Q9UQB9 1/20 0.52
▸ CAMK2A Q9UQM7 1/20 0.52
▸ PIM1 P11309 1/20 0.48
▸ CAMK2B Q13554 1/20 0.48
▸ SMC2 O95347 1/20 0.47
▸ EGFR P00533 1/20 0.47
▸ SMC1A Q14683 1/20 0.47
▸ AAK1 Q2M2I8 1/20 0.47
▸ Q6ZSR9 Q6ZSR9 1/20 0.47
▸ BMP2K Q9NSY1 1/20 0.47
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46

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
Hydrochloric Acid SCHEMBL5395613 0.99 MAP2K1 (0.55) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL4861531 0.90 MAP2K1 (0.58) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL4859711 0.89 MAP2K1 (0.62) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL4852320 0.87 MAP2K1 (0.56) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL4860845 0.87 MAP2K1 (0.56) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL4861995 0.87 MAP2K1 (0.62) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL4861076 0.86 MAP2K1 (0.55) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL4858605 0.86 MAP2K1 (0.60) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL4853169 0.85 MAP2K1 (0.64) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL4860139 0.85 MAP2K1 (0.54) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB

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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008126684-A2 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-23 — — WO claimed
US-7411001-B2 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2008-08-12 — — US claimed
US-6972298-B2 Method of treating or inhibiting neutrophil chemotaxis by administering a MEK inhibitor WARNER-LAMBERT COMPANY (US) 2005-12-06 — — US claimed
US-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY 2005-08-11 — — US claimed
EP-0993439-B1 4-BROMO OR 4-IODO PHENYLAMINO BENZHYDROXAMIC ACID DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER LAMBERT CO (US) 2004-09-29 — — EP claimed
US-20040054172-A1 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY 2004-03-18 — — US claimed
EP-1301472-A2 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER-LAMBERT COMPANY (US) 2003-04-16 — — EP claimed
US-20030055095-A1 Method of treating or inhibiting neutrophil chemotaxis by administering a mek inhibitor BARAGI VIJAYKUMAR M (US) 2003-03-20 — — US claimed
EP-1044001-A4 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-01-29 — — EP claimed
EP-1262176-A1 Method of treating or inhibiting neutrophil chemotaxis by administering a mek inhibitor WARNER-LAMBERT COMPANY (US) 2002-12-04 — — EP claimed
WO-2000009503-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-02-24 — — WO claimed
WO-2000006169-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-02-10 — — WO claimed
EP-0973396-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-01-26 — — EP claimed
EP-0946165-A1 INTEGRIN ANTAGONISTS Merck & Co., Inc. (US) 1999-10-06 — — EP claimed
WO-1999030713-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 — — WO claimed
WO-1999031061-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 — — WO claimed
WO-1999031099-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 — — WO claimed
WO-1998046220-A1 COMBINATION THERAPY FOR THE PREVENTION AND TREATMENT OF OSTEOPOROSIS MERCK & CO., INC. (US) 1998-10-22 — — WO claimed
WO-1998044797-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1998-10-15 — — WO claimed
WO-1998018460-A1 INTEGRIN ANTAGONISTS MERCK & CO., INC. (US) 1998-05-07 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids CYP4X1, CYP2A7, CYP4B1 MAP2K1 4341/4885MAP2K2 4268/4885CSNK2A2 3697/4885
US-20040054172-A1 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids CYP4X1, ALOX5, HAAO MAP2K1 4312/4885MAP2K2 4025/4885CSNK2A2 3324/4885
US-20030055095-A1 Method of treating or inhibiting neutrophil chemotaxis by administering a mek inhibitor MMP8, SERPINB1, CXCR2 MAP2K1 105/4885MAP2K2 89/4885CSNK2A2 2754/4885

“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.