SCHEMBL3070774

SCHEMBL3070774

CN(C)CCCn1c(-c2cccc(Cn3cc(-c4cc(F)cc(F)c4)cnc3=O)c2)noc1=O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 14/20 0.43
▸ BRD4 O60885 1/20 0.38
▸ GRIN1 Q05586 3/20 0.34
▸ GRIN2B Q13224 3/20 0.34
▸ BCL2A1 Q16548 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL3062546 0.79 MET (0.64) MET
Hydrochloric Acid SCHEMBL3066851 0.78 MET (0.63) MET
SCHEMBL3062469 0.68 MET (0.45) METBRD4GRIN1GRIN2BALDH1A1
SCHEMBL3096140 0.65 MET (0.72) MET
SCHEMBL12241124 0.63 MET (0.61) MET
SCHEMBL12241146 0.63 MET (0.61) MET
SCHEMBL3090364 0.61 MET (0.70) MET
SCHEMBL3090717 0.60 MET (1.00) MET
SCHEMBL12241162 0.60 MET (0.58) MET
SCHEMBL12241201 0.60 MET (0.57) 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-8435981-B2 2-(heterocyclylbenzyl)pyridazinone derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-05-07 — — US disclosed
US-20100261697-A1 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 2010-10-14 — — 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 (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-20100261697-A1 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 MET 1/4885BRD4 791/4885GRIN1 1722/4885

“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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