SCHEMBL1316603

SCHEMBL1316603

CN(C)CCCOc1cnc(-c2cccc(OC(N)=O)c2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 2/20 0.52
▸ MET P08581 5/20 0.52
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ESR1 P03372 1/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ ROCK1 Q13464 1/20 0.44
▸ DYRK3 O43781 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ PIM1 P11309 1/20 0.44
▸ RPS6KB1 P23443 1/20 0.44
▸ CSNK2A1 P68400 1/20 0.44
▸ PKN2 Q16513 1/20 0.44
▸ PIM3 Q86V86 1/20 0.44
▸ BRSK1 Q8TDC3 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44

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
SCHEMBL3740603 0.82 MET (0.52) METKDM4EALDH1A1SMN1; SMN2ESR1
SCHEMBL3102033 0.82 MET (0.52) CHEK2METKDM4EALDH1A1SMN1; SMN2
SCHEMBL1317864 0.80 MET (0.52) CHEK2METKDM4EALDH1A1SMN1; SMN2
SCHEMBL1301780 0.78 MET (0.56) CHEK2METKDM4EALDH1A1SMN1; SMN2
SCHEMBL2474804 0.78 MET (0.68) MET
SCHEMBL13152979 0.76 MET (0.47) CHEK2METKDM4EALDH1A1SMN1; SMN2
SCHEMBL12547150 0.76 MET (0.47) CHEK2METKDM4EALDH1A1SMN1; SMN2
SCHEMBL3082147 0.76 MET (0.47) CHEK2METKDM4EALDH1A1SMN1; SMN2
SCHEMBL1551661 0.76 CHEK2 (0.69) CHEK2DYRK3MAP4K4PIM1RPS6KB1
SCHEMBL16199801 0.75 MET (0.46) CHEK2METKDM4EALDH1A1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376426-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2016-06-28 — — US disclosed
US-8853211-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2014-10-07 — — US disclosed
US-20140148463-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2014-05-29 — — US disclosed
US-20110269765-A1 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2011-11-03 — — 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 (2 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 CHEK2 105/4885MET 1/4885KDM4E 1247/4885
US-20110269765-A1 Pyridazinone derivatives MET, RET, ERBB2 CHEK2 105/4885MET 1/4885KDM4E 1247/4885

“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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