SCHEMBL1509507

SCHEMBL1509507

CN1CCN(c2cccc(N)c2N)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 3/20 0.72
DRD2 P14416 3/20 0.53
DRD3 P35462 3/20 0.53
MAPT P10636 4/20 0.51
KDM4E B2RXH2 4/20 0.51
MAPK1 P28482 2/20 0.51
GAA P10253 2/20 0.51
PTK2B Q14289 2/20 0.51
HTT P42858 1/20 0.51
RECQL P46063 1/20 0.51
ALDH1A1 P00352 3/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTR3A P46098 2/20 0.49
HTR1A P08908 1/20 0.47
DRD4 P21917 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
KMT2A Q03164 2/20 0.46
NCF1 P14598 1/20 0.46

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
SCHEMBL31172405 1.00 ADRA2C (0.72) ADRA2CDRD2DRD3MAPTKDM4E
SCHEMBL23124021 0.93 ADRA2C (0.64) ADRA2CDRD2DRD3MAPTKDM4E
SCHEMBL29586390 0.84 ADRA2C (1.00) ADRA2CDRD2DRD3MAPTKDM4E
SCHEMBL1926749 0.84 ADRA2C (1.00) ADRA2CDRD2DRD3MAPTKDM4E
SCHEMBL3555024 0.83 ADRA2C (0.59) ADRA2CDRD2DRD3MAPTKDM4E
SCHEMBL23122995 0.82 ADRA2C (0.50) ADRA2CDRD2DRD3MAPTKDM4E
SCHEMBL23122730 0.82 KEAP1 (0.61) ADRA2CMAPTKDM4EMAPK1GAA
SCHEMBL31172356 0.82 KEAP1 (0.67) ADRA2CMAPTKDM4EMAPK1GAA
SCHEMBL23294841 0.81 ADRA2C (0.58) ADRA2CDRD2DRD3MAPTKDM4E
SCHEMBL1127096 0.81 ADRA2C (0.68) ADRA2CDRD2DRD3MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3755688-B1 INDOLE AND BENZIMIDAZOLE DERIVATIVES AS DUAL 5-HT2A AND 5-HT6 RECEPTOR ANTAGONISTS ADAMED PHARMA S A (PL) 2023-06-14 EP disclosed
US-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 US disclosed
EP-4031532-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 EP disclosed
CN-114787136-A Substituted benzimidazole carboxamides and their use in the treatment of medical disorders 比亚尔R&D投资股份公司 2022-07-22 CN disclosed
US-11332470-B2 CXCR4 inhibitors and uses thereof X4 PHARMACEUTICALS, INC. (US) 2022-05-17 US disclosed
US-20210363139-A1 CXCR4 INHIBITORS AND USES THEREOF X4 PHARMACEUTICALS, INC. 2021-11-25 US disclosed
US-10988465-B2 CXCR4 inhibitors and uses thereof X4 PHARMACEUTICALS, INC. (US) 2021-04-27 US disclosed
WO-2021055591-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL-BioTech Investments, Inc. (US) 2021-03-25 WO disclosed
US-20200255414-A1 CXCR4 INHIBITORS AND USES THEREOF X4 PHARMACEUTICALS, INC. 2020-08-13 US disclosed
US-20200155525-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC 2020-05-21 US disclosed
CN-1495171-A Indazol compound for inhibiting protein kinase and medicine composition and their application ������ҩ�����޹�˾ 2004-05-12 CN disclosed
CN-1137884-C Indazole compounds and pharmaceutical compositions that inhibit protein kinases and methods of use thereof ������ҩ�����޹�˾ 2004-02-11 CN disclosed
US-6534524-B1 Antiproliferative agents, including axitinib AGOURON PHARMACEUTICALS, INC. 2003-03-18 US disclosed
US-6531491-B1 Methods of treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation, such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, and psoriasis, AGOURON PHARAMACEUTICALS, INC. 2003-03-11 US disclosed
CN-1374950-A Indazole compounds and pharmaceutical compositions for inhibiting protein kinases and their use AGOURON PHARMACETUICALS INC (US) 2002-10-16 CN disclosed
EP-1218348-A2 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2002-07-03 EP 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
US-6051570-A ANTIULCER AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-04-18 US disclosed
EP-0983263-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS ANTIULCER AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-03-08 EP disclosed
WO-1998054172-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS ANTIULCER AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1998-12-03 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 (6 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-20200255414-A1 CXCR4 INHIBITORS AND USES THEREOF CXCR4, CXCL12, CXCR3 ADRA2C 1193/4885DRD2 3395/4885DRD3 2827/4885
US-20210363139-A1 CXCR4 INHIBITORS AND USES THEREOF CXCR4, CXCL12, CXCR3 ADRA2C 1193/4885DRD2 3395/4885DRD3 2827/4885
US-10988465-B2 CXCR4 inhibitors and uses thereof CXCR4, CXCL12, CXCR3 ADRA2C 1193/4885DRD2 3395/4885DRD3 2827/4885
US-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GAA, GBA1, CLN6 ADRA2C 3389/4885DRD2 4257/4885DRD3 4520/4885
US-11332470-B2 CXCR4 inhibitors and uses thereof CXCR4, CXCL12, CXCR3 ADRA2C 1193/4885DRD2 3395/4885DRD3 2827/4885
US-20200155525-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF COL1A1, NOX4, FGF1 ADRA2C 1395/4885DRD2 4829/4885DRD3 4815/4885

“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.