SCHEMBL76547

SCHEMBL76547

CN1CCN(c2ccc(N)c(N)c2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.73
MAPT P10636 4/20 0.73
KDM4E B2RXH2 3/20 0.73
PTK2B Q14289 2/20 0.73
MAPK1 P28482 2/20 0.73
HTT P42858 2/20 0.73
RECQL P46063 1/20 0.73
ALDH1A1 P00352 4/20 0.62
ADRA2C P18825 3/20 0.62
KMT2A Q03164 3/20 0.62
GFER P55789 1/20 0.62
ESR2 Q92731 1/20 0.62
SIRT6 Q8N6T7 2/20 0.61
HTR3A P46098 1/20 0.55
MEN1 O00255 2/20 0.51
GLA P06280 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RAD52 P43351 1/20 0.49

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
SCHEMBL29745032 1.00 GAA (0.73) GAAMAPTKDM4EPTK2BMAPK1
Ammonia Solution, Strong SCHEMBL14746306 0.98 GAA (0.71) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL3935104 0.93 MAPT (0.65) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL30565926 0.93 MAPT (0.65) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL29666122 0.87 MAPT (0.57) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL31173630 0.85 MAPT (0.60) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL20475482 0.85 MAPT (0.60) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL30900439 0.85 GAA (0.64) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL6151809 0.85 GAA (0.69) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL519972 0.85 GAA (0.69) GAAMAPTKDM4EPTK2BMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288387-B2 Napthalimide-benzimidazole hybrids as potential antitumor agents and process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-10-16 US claimed
US-20110166346-A1 NOVEL NAPTHALIMIDE-BENZIMIDAZOLE HYBRIDS AS POTENTIAL ANTITUMOR AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGISTRATION OF SOCIETIES ACT (ACT XXI OF 1860)) (IN) 2011-07-07 US claimed
EP-1590332-B1 A PROCESS FOR THE SYNTHESIS OF BISBENZIMIDAZOLES AND THEIR DERIVATIVES. UNIV DELHI (IN) 2011-04-27 EP claimed
WO-2009110000-A1 NOVEL NAPTHALIMIDE-BENZIMIDAZOLE HYBRIDS AS POTENTIAL ANTITUMOUR AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2009-09-11 WO claimed
EP-2044938-A2 Radioprotectors Peter MacCallum Cancer Institute (AU) 2009-04-08 EP claimed
JP-4125369-B2 2008-07-30 JP claimed
EP-0857067-A4 RADIOPROTECTORS PETER MACCALLUM CANCER INST (AU) 2005-01-19 EP claimed
JP-2000501697-A 2000-02-15 JP claimed
EP-0857067-A1 RADIOPROTECTORS The Inner and Eastern Health Care Network (AU) 1998-08-12 EP claimed
WO-1997004776-A1 RADIOPROTECTORS THE INNER AND EASTERN HEALTH CARE NETWORK (AU) 1997-02-13 WO claimed
WO-2024220556-A2 HETEROCYCLIC SUMO1 SMALL MOLECULE DEGRADERS AND USE THEREOF HB THERAPEUTICS, INC. (US) 2024-10-24 WO disclosed
CN-118344358-A HPK1 inhibitor and preparation method and application thereof 中国科学院上海有机化学研究所 2024-07-16 CN disclosed
WO-2024129780-A1 BENZIMIDAZOLE DERIVATIVES AS GPX4 INHIBITORS SONATA THERAPEUTICS, INC. (US) 2024-06-20 WO disclosed
WO-2024129780-A1 BENZIMIDAZOLE DERIVATIVES AS GPX4 INHIBITORS SONATA THERAPEUTICS, INC. (US) 2024-06-20 WO disclosed
CN-117886798-A Substituted benzimidazoles and use thereof 河南中医药大学 2024-04-16 CN disclosed
WO-2001053268-A2 INDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND THEIR USE FOR MEDIATING OR INHIBITING CELL PROLIFERATION AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 WO disclosed
US-6194414-B1 CANCER THERAPY; PREVENT RADIATION DAMAGE THE INNER AND EASTERN HEALTH CARE NETWORK (AU) 2001-02-27 US disclosed
WO-2001002369-A2 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2001-01-11 WO disclosed
EP-0857067-A1 RADIOPROTECTORS The Inner and Eastern Health Care Network (AU) 1998-08-12 EP disclosed
WO-1997004776-A1 RADIOPROTECTORS THE INNER AND EASTERN HEALTH CARE NETWORK (AU) 1997-02-13 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 (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-20110166346-A1 NOVEL NAPTHALIMIDE-BENZIMIDAZOLE HYBRIDS AS POTENTIAL ANTITUMOR AGENTS AND PROCESS FOR THE PREPARATION THEREOF NAP1L4, NAP1L1, CCNI GAA 3313/4885MAPT 3299/4885KDM4E 982/4885

“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.