SCHEMBL6370783

SCHEMBL6370783

CN(C)CCCn1ncc(OCCc2ccccc2)c(Br)c1=O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.53
▸ KCNH2 Q12809 1/20 0.44
▸ MCHR1 Q99705 1/20 0.44
▸ PFKFB3 Q16875 2/20 0.43
▸ PARN O95453 1/20 0.40
▸ CNOT7 Q9UIV1 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ NR2E3 Q9Y5X4 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
SCHEMBL6378435 0.93 MAPK14 (0.55) MAPK14KCNH2MCHR1PFKFB3NR2E3
SCHEMBL6370522 0.83 MAPK14 (0.58) MAPK14PFKFB3NR2E3
SCHEMBL6291906 0.81 MAPK14 (0.65) MAPK14PFKFB3NR2E3
SCHEMBL6371703 0.76 MAPK14 (0.59) MAPK14PFKFB3NR2E3
SCHEMBL6369871 0.73 MAPK14 (0.58) MAPK14
SCHEMBL6370740 0.70 MAPK14 (1.00) MAPK14
SCHEMBL27692027 0.70 NR2E3 (0.45) MAPK14NR2E3
SCHEMBL6232624 0.69 MAPK14 (0.67) MAPK14PFKFB3NR2E3
SCHEMBL6371347 0.67 MAPK14 (0.89) MAPK14
SCHEMBL6265589 0.66 MAPK14 (0.62) MAPK14NR2E3

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-20050256122-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-11-17 — — US disclosed
US-20050020594-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-01-27 — — 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 29/4885KCNH2 3645/4885MCHR1 4315/4885
US-20050020594-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 MAPK14 34/4885KCNH2 3836/4885MCHR1 4425/4885
US-20050256122-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 MAPK14 34/4885KCNH2 3836/4885MCHR1 4425/4885

“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.

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