SCHEMBL2496853

SCHEMBL2496853

Cn1c(=N)[nH]c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.59
PSMB8 P28062 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 1/20 0.40
F12 P00748 1/20 0.39
DAO P14920 1/20 0.39
GPR3 P46089 1/20 0.39
RAB9A P51151 1/20 0.39
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
PARP1 P09874 1/20 0.37
LMNA P02545 2/20 0.36

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
SCHEMBL442433 0.75 ALDH1A1 (0.65) RXFP1PSMB8NPSR1ALDH1A1HPGD
SCHEMBL21307598 0.75 ALDH1A1 (0.50) RXFP1PSMB8NPSR1ALDH1A1HPGD
SCHEMBL104742 0.74 LMNA (0.63) RXFP1PSMB8NPSR1ALDH1A1HPGD
SCHEMBL259052 0.74 PSMB8 (1.00) RXFP1PSMB8NPSR1ALDH1A1HPGD
SCHEMBL21307492 0.74 ALDH1A1 (0.62) RXFP1PSMB8NPSR1ALDH1A1HPGD
SCHEMBL29580191 0.71 PSMB8 (0.55) RXFP1PSMB8NPSR1POLBMEN1
SCHEMBL4706735 0.71 PSMB8 (0.55) RXFP1PSMB8NPSR1POLBMEN1
SCHEMBL17750892 0.70 RXFP1 (0.49) RXFP1PSMB8NPSR1ALDH1A1HPGD
SCHEMBL5462899 0.69 CDK4 (0.44) RXFP1PSMB8NPSR1ALDH1A1HPGD
SCHEMBL17749581 0.69 MAPT (0.55) NPSR1ALDH1A1SMN1; SMN2POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140163078-A1 Mycobacterial Disease Detection, Treatment, and Drug Discovery THE UAB RESEARCH FOUNDATION (US) 2014-06-12 US claimed
US-20090068197-A1 MYCOBACTERIAL DISEASE DETECTION, TREATMENT, AND DRUG DISCOVERY THE UAB RESEARCH FOUNDATION (US) 2009-03-12 US claimed
US-9822134-B2 System for delivering therapeutic agents into living cells and cells nuclei SABAG-RFA LTD. (IL) 2017-11-21 US disclosed
WO-2017176981-A1 SMALL MOLECULE REGULATORS OF STEROID RECEPTOR COACTIVATORS AND METHODS OF USE THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2017-10-12 WO disclosed
US-9556210-B2 System for delivering therapeutic agents into living cells and cells nuclei SABAG-RFA LTD. (IL) 2017-01-31 US disclosed
US-20160176903-A1 SYSTEM FOR DELIVERING THERAPEUTIC AGENTS INTO LIVING CELLS AND CELLS NUCLEI SABAG-RFA LTD. (IL) 2016-06-23 US disclosed
US-20160039850-A1 SYSTEM FOR DELIVERING THERAPEUTIC AGENTS INTO LIVING CELLS AND CELLS NUCLEI SABAG-RFA LTD. (IL) 2016-02-11 US disclosed
US-9156865-B2 System for delivering therapeutic agents into living cells and cells nuclei DELIVERSIR LTD (IL) 2015-10-13 US disclosed
US-8859490-B2 Peptide nucleic acid monomers and oligomers NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-10-14 US disclosed
US-8759520-B2 Compounds for treating cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
US-8759520-B2 Compounds for treating cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
WO-2007084728-A2 2-IMINO-BENZIMIDAZOLES ABBOTT LABORATORIES (US) 2007-07-26 WO disclosed
US-20070142388-A1 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. 2007-06-21 US disclosed
US-20070082906-A1 Inhibitors of akt activity MERCK SHARP & DOHME CORP. 2007-04-12 US disclosed
WO-2007038172-A2 GUANIDINIUM CARRIERS NITTO DENKO CORPORATION (JP) 2007-04-05 WO disclosed
US-20070078094-A1 Guanidinium delivery carriers NITTO DENKO CORPORATION (JP) 2007-04-05 US disclosed
US-20070078078-A1 Multi-valent guanidinium compounds for enhancing molecular translocation across cellular membranes and epithelial tissues NITTO DENKO CORPORATION (JP) 2007-04-05 US disclosed
WO-2007038171-A2 PEPTIDE NUCLEIC ACID BASED GUANIDINIUM COMPOUNDS NITTO DENKO CORPORATION (JP) 2007-04-05 WO disclosed
US-20070072802-A1 Peptide nucleic acid based guanidinium compounds NITTO DENKO CORPORATION (JP) 2007-03-29 US disclosed
US-20070043001-A1 Inhibitors of akt activity MERCK SHARP & DOHME CORP. 2007-02-22 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 (10 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-20140163078-A1 Mycobacterial Disease Detection, Treatment, and Drug Discovery ANP32B, ANP32A, MRPL21 RXFP1 2667/4885PSMB8 1809/4885NPSR1 4559/4885
US-20160039850-A1 SYSTEM FOR DELIVERING THERAPEUTIC AGENTS INTO LIVING CELLS AND CELLS NUCLEI NFATC1, KPNA2, KPNA6 RXFP1 2534/4885PSMB8 3469/4885NPSR1 511/4885
US-20070078094-A1 Guanidinium delivery carriers SLC2A9, SLC29A2, SLC2A4 RXFP1 1046/4885PSMB8 4628/4885NPSR1 1176/4885
US-20070043001-A1 Inhibitors of akt activity MTMR1, PIK3CA, PLK1 RXFP1 4862/4885PSMB8 3320/4885NPSR1 4589/4885
US-20090068197-A1 MYCOBACTERIAL DISEASE DETECTION, TREATMENT, AND DRUG DISCOVERY ANP32B, ANP32A, MRPL21 RXFP1 2667/4885PSMB8 1809/4885NPSR1 4559/4885
US-20070072802-A1 Peptide nucleic acid based guanidinium compounds SLC29A1, SLC29A2, SLC28A1 RXFP1 992/4885PSMB8 3992/4885NPSR1 1176/4885
US-20070082906-A1 Inhibitors of akt activity AKT2, AKT1, AKT3 RXFP1 4855/4885PSMB8 2989/4885NPSR1 4385/4885
US-20070078078-A1 Multi-valent guanidinium compounds for enhancing molecular translocation across cellular membranes and epithelial tissues GLS, FABP2, GOLIM4 RXFP1 3798/4885PSMB8 3444/4885NPSR1 3774/4885
US-20160176903-A1 SYSTEM FOR DELIVERING THERAPEUTIC AGENTS INTO LIVING CELLS AND CELLS NUCLEI NFATC1, KPNA2, KPNA6 RXFP1 2534/4885PSMB8 3469/4885NPSR1 511/4885
US-20070142388-A1 Inhibitors of Akt activity AKT2, AKT1, AKT3 RXFP1 4871/4885PSMB8 2876/4885NPSR1 4716/4885

“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.