SCHEMBL508845

SCHEMBL508845

Nc1ncc(Br)c(-c2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 15/20 0.57
ADORA2A P29274 11/20 0.57
CDC7 O00311 1/20 0.55
GRM4 Q14833 1/20 0.51
LMNA P02545 1/20 0.49
NUDT1 P36639 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
SCHEMBL13977464 0.82 CDC7 (0.60) ADORA1ADORA2ACDC7GRM4
SCHEMBL28342636 0.81 KDM4E (0.51) ADORA1ADORA2ALMNA
SCHEMBL30209577 0.81 ADORA1 (0.59) ADORA1ADORA2ACDC7
SCHEMBL21621294 0.81 ADORA1 (0.59) ADORA1ADORA2ACDC7
SCHEMBL14127720 0.80 ADORA1 (0.61) ADORA1ADORA2ALMNANUDT1
SCHEMBL13977797 0.78 CDC7 (0.62) ADORA1ADORA2ACDC7GRM4LMNA
SCHEMBL4582424 0.78 ADORA1 (0.83) ADORA1ADORA2A
SCHEMBL15109675 0.78 KMT2A (0.49) ADORA1ADORA2ALMNA
SCHEMBL30560079 0.78 KMT2A (0.49) ADORA1ADORA2ALMNA
SCHEMBL24309649 0.77 ADORA1 (0.63) ADORA1ADORA2ACDC7LMNANUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110684020-B 2-aminopyrimidine derivatives, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-01-20 CN disclosed
CN-111094254-B Heteroaryl derivative, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2022-07-26 CN disclosed
WO-2020011220-A1 HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2020-01-16 WO disclosed
WO-2014125426-A1 TRISUBSTITUTED HETEROCYCLIC DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-08-21 WO disclosed
WO-2014125426-A1 TRISUBSTITUTED HETEROCYCLIC DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-08-21 WO disclosed
US-8211863-B2 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-8211863-B2 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-8211863-B2 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-20120028999-A1 ADMINISTRATION OF TLR7 LIGANDS AND PRODRUGS THEREOF FOR TREATMENT OF INFECTION BY HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2012-02-02 US disclosed
US-20120028999-A1 ADMINISTRATION OF TLR7 LIGANDS AND PRODRUGS THEREOF FOR TREATMENT OF INFECTION BY HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2012-02-02 US disclosed
US-7576068-B2 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2009-08-18 US disclosed
US-7576068-B2 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2009-08-18 US disclosed
US-7576068-B2 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2009-08-18 US disclosed
EP-1667694-A2 TLR7 LIGANDS FOR THE TREATMENT OF HEPATITIS C Anadys Pharmaceuticals, Inc. (US) 2006-06-14 EP disclosed
WO-2005025583-A2 TLR7 LIGANDS FOR THE TREATMENT OF HEPATITIS C ANADYS PHARMACEUTICALS, INC. (US) 2005-03-24 WO disclosed
US-20050054590-A1 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus ANADYS PHARMACEUTICALS, INC. 2005-03-10 US disclosed
US-6586441-B2 2-Amino-6-benzylsulfanyl-4-thiophen-2-yl-pyridine-3,5-dicarbo -nitrile as an examplary preferred compound; Alzheimer's and Parkinson's diseases; neuroprotectors; schizophrenia, analgesics; anxiolytic agents; respiratory disorders HOFFMAN-LA ROCHE INC. 2003-07-01 US disclosed
EP-1261327-A2 ADENOSINE RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2002-12-04 EP disclosed
US-20010027196-A1 Adenosine receptor ligands and their use in the treatment of disease F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 US disclosed
WO-2001062233-A2 ADENOSINE RECEPTOR MODULATORS F. HOFFMANN LA ROCHE AG (CH) 2001-08-30 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 (3 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-20010027196-A1 Adenosine receptor ligands and their use in the treatment of disease ADORA2A, ADORA2B, ADORA1 ADORA1 3/4885ADORA2A 1/4885CDC7 4768/4885
US-20120028999-A1 ADMINISTRATION OF TLR7 LIGANDS AND PRODRUGS THEREOF FOR TREATMENT OF INFECTION BY HEPATITIS C VIRUS TLR7, TLR3, TLR9 ADORA1 287/4885ADORA2A 166/4885CDC7 2266/4885
US-20050054590-A1 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus TLR7, TLR3, TLR9 ADORA1 287/4885ADORA2A 166/4885CDC7 2266/4885

“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.