SCHEMBL3445228

SCHEMBL3445228

Clc1ncnc2nn[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.39
EGLN1 Q9GZT9 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7644350 0.78
SCHEMBL24640 0.74 PI4KA (0.50)
Ammonia Solution, Strong SCHEMBL28104176 0.72 PI4KA (0.48)
SCHEMBL29559610 0.67 LMNA (0.57) DYRK1AALDH1A1MAPK1MEN1KMT2A
SCHEMBL9082 0.67 LMNA (0.57) DYRK1AALDH1A1MAPK1MEN1KMT2A
SCHEMBL30834859 0.65 LMNA (0.55) DYRK1AALDH1A1MAPK1MEN1KMT2A
Water SCHEMBL27775008 0.65 LMNA (0.55) DYRK1AALDH1A1MAPK1MEN1KMT2A
SCHEMBL9798930 0.65 LMNA (0.55) DYRK1AALDH1A1MAPK1MEN1KMT2A
SCHEMBL3445227 0.65 CHEK1 (0.37) DYRK1A
SCHEMBL6016629 0.65 EGLN1 (0.43) DYRK1AEGLN1KDM4EALDH1A1MAPT

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3565817-B1 SMALL MOLECULE INHIBITORS OF NEUTRAL SPHINGOMYELINASE 2 (NSMASE2) FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES UNIV JOHNS HOPKINS (US) 2023-06-07 EP disclosed
US-11427590-B2 Small molecule inhibitors of neutral sphingomyelinase 2 (nSMase2) for the treatment of neurodegenerative diseases THE JOHNS HOPKINS UNIVERSITY (US) 2022-08-30 US disclosed
US-20200190089-A1 SMALL MOLECULE INHIBITORS OF NEUTRAL SPHINGOMYELINASE 2 (NSMASE2) FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR V.V.I. (CZ) 2020-06-18 US disclosed
EP-3565817-A1 SMALL MOLECULE INHIBITORS OF NEUTRAL SPHINGOMYELINASE 2 (nSMase2) FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES The Johns Hopkins University (US) 2019-11-13 EP disclosed
WO-2018129405-A1 SMALL MOLECULE INHIBITORS OF NEUTRAL SPHINGOMYELINASE 2 (nSMase2) FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES THE JOHNS HOPKINS UNIVERSITY (US) 2018-07-12 WO disclosed
US-7816350-B2 Substituted [1,2,3] triazolo[4,5-D]pyrimidines as cdk inhibitors INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2010-10-19 US disclosed
US-20070208038-A1 6-(2-Fluorophenyl)-Triazolopyrimidines, Method for Producing Them, Their use for Controlling Parasitic Fungi and Agents Containing the Same BASF AKTIENGESELLSCHAFT (DE) 2007-09-06 US disclosed
US-7217815-B2 2-beta -modified-6-substituted adenosine analogs and their use as antiviral agents VALEANT PHARMACEUTICALS NORTH AMERICA (US) 2007-05-15 US disclosed
US-20060183706-A1 2-Beta-modified-6-substituted adenosine analogs and their use as antiviral agents BAUSCH HEALTH IRELAND LIMITED (IE) 2006-08-17 US disclosed
US-20060035909-A1 2,6,9-trisubstituted 8-azapurines such as 2-(4-aminocyclohexylamino)-6-benzylamino-9-isopropyl-8-azapurine, used as cyclin-dependent kinase inhibitors, in the treatment of skin disorders, viral infections, cancer, arthritis, lupus, diabetes, multiple sclerosis, restenosis, polycystic kidney disease, gout UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2006-02-16 US disclosed
EP-1539760-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2005-06-15 EP disclosed
WO-2004018473-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2004-03-04 WO disclosed
WO-2003062256-A1 2'-BETA-MODIFIED-6-SUBSTITUTED ADENOSINE ANALOGS AND THEIR USE AS ANTIVIRAL AGENTS RIBAPHARM INC. (US) 2003-07-31 WO disclosed
US-4739053-A CHARGE CARRIER-TRANSPORTING COMPOUNDS; ELECTROGRAPHY BASF AKTIENGESELLSCHAFT (DE) 1988-04-19 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 (5 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-20070208038-A1 6-(2-Fluorophenyl)-Triazolopyrimidines, Method for Producing Them, Their use for Controlling Parasitic Fungi and Agents Containing the Same CBR1, CBR3, DPM1 DYRK1A 2614/4885EGLN1 101/4885KDM4E 3090/4885
US-11427590-B2 Small molecule inhibitors of neutral sphingomyelinase 2 (nSMase2) for the treatment of neurodegenerative diseases SMPD2, SPTLC2, SGMS2 DYRK1A 4576/4885EGLN1 3329/4885KDM4E 1529/4885
US-20060183706-A1 2-Beta-modified-6-substituted adenosine analogs and their use as antiviral agents ADAR, ADA, AMPD2 DYRK1A 3403/4885EGLN1 1609/4885KDM4E 640/4885
US-20200190089-A1 SMALL MOLECULE INHIBITORS OF NEUTRAL SPHINGOMYELINASE 2 (NSMASE2) FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SMPD2, SPTLC2, SGMS2 DYRK1A 4576/4885EGLN1 3329/4885KDM4E 1529/4885
US-20060035909-A1 2,6,9-trisubstituted 8-azapurines such as 2-(4-aminocyclohexylamino)-6-benzylamino-9-isopropyl-8-azapurine, used as cyclin-dependent kinase inhibitors, in the treatment of skin disorders, viral infections, cancer, arthritis, lupus, diabetes, multiple sclerosis, restenosis, polycystic kidney disease, gout CDK8, CDK6, CDK1 DYRK1A 964/4885EGLN1 4739/4885KDM4E 329/4885

“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.