SCHEMBL3111915

SCHEMBL3111915

O=C(O)Nc1cccc(Cn2nc(-c3cccc(O)c3)ccc2=O)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 8/20 0.58
▸ USP2 O75604 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ TP53 P04637 1/20 0.47
▸ MAPT P10636 1/20 0.47

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
SCHEMBL2466162 0.90 MET (0.60) METUSP2PKMALOX15ATM
SCHEMBL3117528 0.90 MET (0.59) METUSP2PKMALOX15ATM
SCHEMBL13249462 0.88 MET (0.76) METUSP2PKMALOX15ATM
Hydrochloric Acid SCHEMBL2673060 0.87 HDAC1 (0.58) METMEN1KMT2ATP53MAPT
SCHEMBL2466985 0.87 MET (0.56) METMEN1KMT2A
SCHEMBL2467254 0.87 MET (0.56) METUSP2PKMALOX15ATM
SCHEMBL2468839 0.86 MET (0.60) MET
SCHEMBL2466186 0.85 MET (0.60) MET
SCHEMBL2470219 0.85 MET (0.62) METMEN1KMT2AMAPT
SCHEMBL2468273 0.85 MET (0.61) METMEN1KMT2ATP53MAPT

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-8445489-B2 Aryl ether pyridazinone derivatives MERCK PATENT GMBH (DE) 2013-05-21 — — US disclosed
US-20100179149-A1 ARYL ETHER PYRIDAZINONE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2010-07-15 — — 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-20100179149-A1 ARYL ETHER PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 MET 1/4885USP2 3593/4885PKM 282/4885

“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.

Send feedback