SCHEMBL3062469

SCHEMBL3062469

CN1CCN(c2cnc(-c3cccc(Cn4cc(-c5cc(F)cc(F)c5)cnc4=O)c3)o2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 8/20 0.45
▸ USP2 O75604 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ CASP1 P29466 3/20 0.39
▸ CASP7 P55210 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ DRD2 P14416 2/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ HIF1A Q16665 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ BRD4 O60885 2/20 0.35
▸ PLK4 O00444 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ GRIN1 Q05586 2/20 0.34
▸ GRIN2B Q13224 2/20 0.34

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
SCHEMBL3059920 0.80 MET (0.73) METUSP2CYP3A4CASP1CASP7
SCHEMBL3066320 0.66 MET (0.71) MET
SCHEMBL3087830 0.62 MET (0.70) METUSP2CYP3A4CASP1CASP7
SCHEMBL3090584 0.62 MET (0.73) MET
SCHEMBL2466222 0.62 MET (1.00) METMEN1KMT2A
SCHEMBL1302052 0.60 MET (0.80) METMEN1KMT2A
SCHEMBL13561698 0.60 MET (0.80) METMEN1KMT2A
SCHEMBL3088619 0.59 MET (0.69) MET
SCHEMBL3059790 0.59 MET (0.70) MET
SCHEMBL3092084 0.59 MET (0.73) 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 1/4885USP2 3943/4885CYP3A4 997/4885

“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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