SCHEMBL15738436

SCHEMBL15738436

CN(C)CCCOc1cnc(-c2cccc(Cn3ncccc3=O)c2)nc1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 17/20 0.74
▸ NQO2 P16083 1/20 0.41
▸ ROCK2 O75116 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ LSS P48449 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
SCHEMBL3092280 0.85 MET (1.00) METNQO2
SCHEMBL3089413 0.83 MET (0.85) METNQO2
SCHEMBL1581596 0.83 MET (0.73) METNQO2
SCHEMBL3101965 0.83 MET (0.87) METNQO2
SCHEMBL3088090 0.82 MET (0.81) METNQO2
SCHEMBL1581481 0.81 MET (0.72) METNQO2
SCHEMBL1317047 0.81 MET (0.70) METNQO2
SCHEMBL3102320 0.81 MET (0.81) METNQO2
SCHEMBL3087171 0.81 MET (1.00) METNQO2
SCHEMBL3090717 0.81 MET (1.00) MET

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376426-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2016-06-28 — — US claimed
US-20140148463-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2014-05-29 — — US 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 (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-20140148463-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 MET 1/4885NQO2 598/4885ROCK2 608/4885

“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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