SCHEMBL788085

SCHEMBL788085

Nc1cccc(-c2nn[nH]n2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GP6 Q9HCN6 1/20 0.66
IDO1 P14902 2/20 0.64
ALDH1A1 P00352 4/20 0.62
MAPT P10636 3/20 0.56
LMNA P02545 2/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
ESR2 Q92731 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
METAP2 P50579 1/20 0.54
ADH5 P11766 1/20 0.53
CYP2A6 P11509 1/20 0.51
HPGDS O60760 1/20 0.50
ATAD2 Q6PL18 1/20 0.50
XDH P47989 1/20 0.50
SLC22A12 Q96S37 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL27360709 0.98 GP6 (0.64) GP6IDO1ALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL7752125 0.98 GP6 (0.64) GP6IDO1ALDH1A1MAPTLMNA
SCHEMBL5372659 0.83 AURKA (0.58) GP6IDO1ALDH1A1MAPTLMNA
SCHEMBL25378122 0.79 GP6 (1.00) GP6IDO1ALDH1A1MAPTADH5
SCHEMBL12367 0.78 GP6 (0.66) GP6IDO1ALDH1A1MAPTLMNA
SCHEMBL4258013 0.78 GP6 (0.66) GP6IDO1ALDH1A1MAPTMETAP2
SCHEMBL3109571 0.78 GP6 (0.66) GP6IDO1ALDH1A1MAPTLMNA
SCHEMBL4180199 0.78 GP6 (0.66) GP6IDO1ALDH1A1MAPTLMNA
SCHEMBL21346024 0.78 GP6 (0.66) GP6IDO1ALDH1A1MAPTLMNA
SCHEMBL1628598 0.78 GP6 (0.66) GP6IDO1ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP claimed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
US-20250074919-A1 Heteroaryl compounds as inhibitors of irak4, compositions and applications thereof ACCRO BIOSCIENCE HK LTD (HK) 2025-03-06 US disclosed
US-20240199572-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING TYPE 2 DIABETES AND DEMENTIA NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-06-20 US disclosed
EP-4308554-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING TYPE 2 DIABETES AND DEMENTIA The Board of Trustees of the University of Illinois (US) 2024-01-24 EP disclosed
WO-2023130054-A2 HETEROARYL COMPOUNDS AS INHIBITORS OF IRAK4, COMPOSITIONS AND APPLICATIONS THEREOF ACCRO BIOSCIENCE (HK) LIMITED (CN) 2023-07-06 WO disclosed
US-20230144211-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2023-05-11 US disclosed
WO-2022197658-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING TYPE 2 DIABETES AND DEMENTIA THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2022-09-22 WO disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-20050065066-A1 comprising insulin and novel ligands for the HisB10 Zn2+ sites of the R-state insulin hexamer; physical and chemical stability NOVO NORDISK A/S (DK) 2005-03-24 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 US disclosed
CN-1558762-A Novel ligands for the HisB10 Zn2+ sites of the R-state insulin hexamer ŵ��Ų�ڿ˹�˾ 2004-12-29 CN disclosed
WO-2004080481-A1 NOVEL NPH INSULIN PREPARATIONS NOVO NORDISK A/S (DK) 2004-09-23 WO disclosed
WO-2004080480-A1 PHARMACEUTICAL PREPARATIONS COMPRISING ACID-STABILISED INSULIN NOVO NORDISK A/S (DK) 2004-09-23 WO disclosed
WO-2004056347-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK A/S (DK) 2004-07-08 WO disclosed
EP-1429763-A2 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK A/S (DK) 2004-06-23 EP disclosed
US-20030229120-A1 Novel ligands for the hisb10 zn2+ sites of the r-state insulin hexamer NOVO NORDISK A/S (DK) 2003-12-11 US disclosed
WO-2003027081-A2 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK A/S (DK) 2003-04-03 WO 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 (8 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-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK GP6 2910/4885IDO1 790/4885ALDH1A1 4333/4885
US-20230144211-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES DHFR, FOLR1, MTHFD2 GP6 917/4885IDO1 1929/4885ALDH1A1 1219/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 GP6 3299/4885IDO1 2867/4885ALDH1A1 3589/4885
US-20030229120-A1 Novel ligands for the hisb10 zn2+ sites of the r-state insulin hexamer IAPP, IRS1, GPR119 GP6 3513/4885IDO1 3404/4885ALDH1A1 4873/4885
US-20250074919-A1 Heteroaryl compounds as inhibitors of irak4, compositions and applications thereof IRAK4, IRAK1, IRAK2 GP6 2155/4885IDO1 2239/4885ALDH1A1 2304/4885
US-20240199572-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING TYPE 2 DIABETES AND DEMENTIA SREBF2, SREBF1, SLC2A2 GP6 4139/4885IDO1 4734/4885ALDH1A1 2469/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK GP6 2889/4885IDO1 633/4885ALDH1A1 4184/4885
US-20050065066-A1 comprising insulin and novel ligands for the HisB10 Zn2+ sites of the R-state insulin hexamer; physical and chemical stability IAPP, IRS1, INSR GP6 2684/4885IDO1 2905/4885ALDH1A1 4878/4885

“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.