SCHEMBL16697161

SCHEMBL16697161

COC(=O)c1cccc(-c2ncc(OCC3CCN(C(=O)O)CC3)cn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 2/20 0.44
▸ NQO2 P16083 1/20 0.44
▸ NR1H4 Q96RI1 1/20 0.42
▸ CPT2 P23786 1/20 0.42
▸ CPT1A P50416 1/20 0.42
▸ F2 P00734 1/20 0.42
▸ CYP4F2 P78329 1/20 0.42
▸ CYP4A11 Q02928 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ CDK8 P49336 1/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ DGAT1 O75907 2/20 0.40

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
SCHEMBL29179298 0.88 MET (0.42) METNQO2NR1H4CPT2CPT1A
SCHEMBL2999873 0.88 GPR119 (0.54) CYP4F2CYP4A11KDM4E
SCHEMBL13274935 0.84 HRH3 (0.43) METNQO2F2PDE4D
SCHEMBL1296781 0.82 GPR119 (0.41) METNQO2NR1H4CPT2CPT1A
SCHEMBL28616820 0.80 RBP4 (0.46) NR1H4F2
SCHEMBL15679415 0.79 NR1H4 (0.41) METNQO2NR1H4PDE4DGABRG2
SCHEMBL23344107 0.79 MET (0.54) METNQO2NR1H4ALDH1A1
SCHEMBL631819 0.79 DRD2 (0.52) CYP4F2CYP4A11KDM4EALDH1A1CYP3A4
SCHEMBL22309794 0.77 GPR119 (0.54) KDM4E
SCHEMBL19400195 0.76 CYP4F2 (0.49) CYP4F2CYP4A11

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-9403799-B2 Pyrimidinyl-pyridazinone derivatives for treating a disease which is influenced by inhibition of met kinase MERCK PATENT GMBH (DE) 2016-08-02 — — US disclosed
US-20150133452-A1 PYRIMIDINYL PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2015-05-14 — — 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-20150133452-A1 PYRIMIDINYL PYRIDAZINONE DERIVATIVES MET, MERTK, ABL1 MET 1/4885NQO2 1075/4885NR1H4 4019/4885

“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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