SCHEMBL9903153

SCHEMBL9903153

NC[CH]c1cccc(OC(N)=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.61
▸ MEN1 O00255 4/20 0.61
▸ NPC1 O15118 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ BLM P54132 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SRC P12931 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ FURIN P09958 1/20 0.37

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
SCHEMBL3821816 0.84 KMT2A (0.68) KMT2AMEN1NPC1SMN1; SMN2MAPT
SCHEMBL13516901 0.81 KMT2A (0.54) KMT2AMEN1NPC1SMN1; SMN2MAPT
SCHEMBL28636011 0.78 KMT2A (0.58) KMT2AMEN1NPC1SMN1; SMN2MAPT
SCHEMBL15776394 0.75 KMT2A (0.59) KMT2AMEN1NPC1SMN1; SMN2MAPT
SCHEMBL28007509 0.75 CHRM5 (0.56) NPC1RAB9AALDH1A1
SCHEMBL3739838 0.75 KIF11 (0.49) KMT2AMEN1MAOAMAOB
SCHEMBL28632725 0.74 MEN1 (0.53) KMT2AMEN1NPC1SMN1; SMN2RAB9A
SCHEMBL27526614 0.74 KMT2A (0.68) KMT2AMEN1SMN1; SMN2ALDH1A1MAOB
SCHEMBL29042154 0.73 KMT2A (0.50) KMT2AMEN1NPC1SMN1; SMN2MAPT
SCHEMBL28870970 0.73 MEN1 (0.73) KMT2AMEN1MAPTPOLBBLM

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2462141-B1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2017-09-27 — — EP claimed
US-9023847-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2015-05-05 — — US claimed
US-20120277228-A1 Novel Azaheterocyclic Compounds MERCK PATENT GMBH (DE) 2012-11-01 — — US claimed
EP-2462141-A1 NOVEL AZAHETEROCYCLIC COMPOUNDS Merck Patent GmbH (DE) 2012-06-13 — — EP claimed
EP-2462141-B1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2017-09-27 — — EP disclosed
EP-2760862-B1 6-(4-HYDROXY-PHENYL)-3-ALKYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI SA (FR) 2015-10-21 — — EP disclosed
US-9023847-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2015-05-05 — — US disclosed
US-20130085128-A1 6-(4-Hydroxy-phenyl)-3-alkyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid amide derivatives as kinase inhibitors SANOFI (FR) 2013-04-04 — — US disclosed
US-20120277228-A1 Novel Azaheterocyclic Compounds MERCK PATENT GMBH (DE) 2012-11-01 — — 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-20120277228-A1 Novel Azaheterocyclic Compounds PCNA, MCL1, MYC KMT2A 793/4885MEN1 1021/4885NPC1 1174/4885
US-20130085128-A1 6-(4-Hydroxy-phenyl)-3-alkyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid amide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP4K2 KMT2A 3297/4885MEN1 4777/4885NPC1 4034/4885

“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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