SCHEMBL3403542

SCHEMBL3403542

Nc1ccc(C(=O)Nc2cccnc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 7/20 0.73
▸ CYP11B1 P15538 5/20 0.72
▸ CYP11B2 P19099 5/20 0.72
▸ RAB9A P51151 6/20 0.71
▸ NPC1 O15118 5/20 0.71
▸ LMNA P02545 2/20 0.71
▸ HIF1A Q16665 1/20 0.71
▸ GAA P10253 1/20 0.70
▸ TRPV1 Q8NER1 2/20 0.67
▸ TP53 P04637 1/20 0.65
▸ RECQL P46063 1/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.63

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
SCHEMBL5435462 0.85 NAMPT (0.76) NAMPTCYP11B1CYP11B2RAB9ANPC1
SCHEMBL3642636 0.85 NAMPT (0.81) NAMPTCYP11B1CYP11B2RAB9ANPC1
SCHEMBL167081 0.85 NAMPT (1.00) NAMPTCYP11B1CYP11B2RAB9ANPC1
SCHEMBL28007807 0.85 NAMPT (0.81) NAMPTCYP11B1CYP11B2RAB9ANPC1
SCHEMBL6354168 0.84 CYP11B1 (1.00) NAMPTCYP11B1CYP11B2RAB9ANPC1
SCHEMBL5450085 0.84 NAMPT (0.73) NAMPTCYP11B1CYP11B2RAB9ANPC1
SCHEMBL12078341 0.84 NAMPT (0.77) NAMPTCYP11B1CYP11B2RAB9ANPC1
SCHEMBL30582756 0.84 CYP11B1 (1.00) NAMPTCYP11B1CYP11B2RAB9ANPC1
SCHEMBL95793 0.84 NAMPT (0.73) NAMPTCYP11B1CYP11B2RAB9ANPC1
SCHEMBL10978857 0.84 CYP11B1 (1.00) NAMPTCYP11B1CYP11B2RAB9ANPC1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278965-A1 NOVEL CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS COMPRISING 2 OR MORE ARYL OR HETEROARYL CONNECTED VIA LINKER AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-09-07 — — US disclosed
EP-4169916-A1 CARBONOHYDRAZONOYL DICYANIDE COMPOUND INCLUDING AT LEAST TWO TYPES OF ARYL OR HETEROARYL LINKED BY NOVEL LINKER, AND USE THEREOF Korea Institute of Science and Technology (KR) 2023-04-26 — — EP disclosed
CN-115955968-A Carbohydrazone acyldinitrile compounds comprising at least two aryl or heteroaryl groups connected by a novel linker and uses thereof 韩国科学技术研究院 2023-04-11 — — CN disclosed
WO-2021256902-A1 CARBONOHYDRAZONOYL DICYANIDE COMPOUND INCLUDING AT LEAST TWO TYPES OF ARYL OR HETEROARYL LINKED BY NOVEL LINKER, AND USE THEREOF 한국과학기술연구원 2021-12-23 — — WO disclosed
EP-1928879-B1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-02-13 — — EP disclosed
CN-102014914-A 3H-[1,2,3]triazolo[4,5-D]pyrimidine compounds, their use as MTOR kinase and PI3 kinase inhibitors, and their syntheses WYETH CORP 2011-04-13 — — CN disclosed
EP-2252296-A1 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2010-11-24 — — EP disclosed
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-08-12 — — US disclosed
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-08-12 — — US disclosed
US-7723336-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-25 — — US disclosed
WO-2009091788-A1 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-23 — — WO disclosed
US-20090181963-A1 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-16 — — US disclosed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 — — US disclosed
WO-2007038314-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-05 — — WO disclosed
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 — — US disclosed
US-5770736-A DIAZONIUM-, AZIDO-, OR AZOCARBOXYLATE-DERIVATIZED POLYPHENYLENE AMIDATE COMPOUNDS NORTHEASTERN UNIVERSITY (US) 1998-06-23 — — US disclosed
US-4117138-A ANTIULCER PFIZER INC. (US) 1978-09-26 — — US disclosed
US-4064264-A Pyrrolidonecarboxylic acid derivatives as anti-ulcer agents PFIZER INC. (US) 1977-12-20 — — 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 (5 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-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators MAP3K2, MAP3K3, MAP4K2 NAMPT 1563/4885CYP11B1 2295/4885CYP11B2 1854/4885
US-20230278965-A1 NOVEL CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS COMPRISING 2 OR MORE ARYL OR HETEROARYL CONNECTED VIA LINKER AND USE THEREOF AADAC, CBR3, MTCL3 NAMPT 1087/4885CYP11B1 340/4885CYP11B2 136/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 NAMPT 2075/4885CYP11B1 1688/4885CYP11B2 1303/4885
US-20090181963-A1 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD NAMPT 552/4885CYP11B1 1288/4885CYP11B2 1661/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 NAMPT 2633/4885CYP11B1 2068/4885CYP11B2 1667/4885

“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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