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Sugi Predict / Compounds / SCHEMBL6370514

SCHEMBL6370514

SCHEMBL6370514

O=C(O)CC(CNc1cnn(-c2c(Cl)cccc2Cl)c(=O)c1Br)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 11/20 0.58
▸ GABBR2 O75899 3/20 0.39
▸ GABBR1 Q9UBS5 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PTGFR P43088 2/20 0.37

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
SCHEMBL6370983 0.89 MAPK14 (0.56) MAPK14LMNAMEN1KMT2ARAB9A
SCHEMBL6370469 0.80 MAPK14 (0.67) MAPK14LMNACYP2D6RAB9ASMN1; SMN2
SCHEMBL6232218 0.76 MAPK14 (0.71) MAPK14RAB9ASMN1; SMN2
SCHEMBL6348612 0.74 MAPK14 (1.00) MAPK14RAB9ASMN1; SMN2
SCHEMBL6369775 0.72 MAPK14 (0.59) MAPK14LMNACYP2C9CYP1A2THRB
SCHEMBL6370862 0.72 MAPK14 (1.00) MAPK14LMNAKMT2ARAB9ASMN1; SMN2
SCHEMBL6370466 0.72 MAPK14 (0.61) MAPK14LMNACYP2C9CYP1A2RAB9A
SCHEMBL6376898 0.72 MAPK14 (0.61) MAPK14LMNACYP2C9CYP1A2RAB9A
SCHEMBL6370976 0.71 MAPK14 (0.78) MAPK14BLMMEN1KMT2ARAB9A
SCHEMBL6371718 0.71 MAPK14 (0.81) MAPK14KMT2ARAB9ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256122-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-11-17 — — US claimed
US-20050020594-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-01-27 — — US claimed
US-20040142932-A1 Substituted pyridazinones PHARMACIA CORPORATION 2004-07-22 — — US claimed
US-20050256122-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-11-17 — — US disclosed
US-20040142932-A1 Substituted pyridazinones PHARMACIA CORPORATION 2004-07-22 — — 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 (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-20040142932-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 MAPK14 29/4885GABBR2 3204/4885GABBR1 3024/4885
US-20050020594-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 MAPK14 34/4885GABBR2 3094/4885GABBR1 3015/4885
US-20050256122-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 MAPK14 34/4885GABBR2 3094/4885GABBR1 3015/4885

“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.