SCHEMBL790146

SCHEMBL790146

Cc1nc(C)c2ncn(C)c2n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 7/20 0.46
YTHDC1 Q96MU7 2/20 0.43
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
CCNB1 P14635 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE2A O00408 2/20 0.37
CDK5 Q00535 1/20 0.36
KCNN2 Q9H2S1 1/20 0.35
KCNN3 Q9UGI6 1/20 0.35

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
SCHEMBL27392700 0.84 CDK1 (0.43) CDK1YTHDC1ADORA2AADORA1CCNB1
SCHEMBL21703036 0.80 CDK1 (0.47) CDK1YTHDC1ADORA2AADORA1CCNB1
SCHEMBL25876344 0.80 CDK1 (0.66) CDK1YTHDC1ADORA2AADORA1CCNB1
SCHEMBL16481592 0.80 CDK1 (0.43) CDK1YTHDC1ADORA2AADORA1CCNB1
SCHEMBL7289687 0.80 CDK1 (0.51) CDK1YTHDC1ADORA2AADORA1CCNB1
SCHEMBL10148680 0.80 CDK1 (0.57) CDK1YTHDC1ADORA2AADORA1CCNB1
SCHEMBL4402870 0.80 CDK1 (0.66) CDK1YTHDC1ADORA2AADORA1CCNB1
SCHEMBL18232306 0.78
SCHEMBL25028478 0.77 YTHDC1 (0.50) CDK1YTHDC1ADORA2AADORA1CCNB1
SCHEMBL14441699 0.77 CDK1 (0.41) CDK1YTHDC1ADORA2AADORA1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024119117-A1 MODIFIED 5' CAP FOR MRNA AND METHODS OF USE THEREOF PRIME MEDICINE, INC. (US) 2024-06-06 WO disclosed
WO-2023178133-A9 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS, INC. (US) 2023-10-26 WO disclosed
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
US-9605018-B2 Substituted nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2017-03-28 US disclosed
US-20160137610-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith Gatekeeper Pharmaceuticals, Inc. 2016-05-19 US disclosed
US-9278990-B2 Substituted nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2016-03-08 US disclosed
US-20150141363-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. 2015-05-21 US disclosed
US-9012427-B2 Pharmaceutical combinations comprising a thionucleotide analog ALIOS BIOPHARMA, INC. (US) 2015-04-21 US disclosed
US-8980865-B2 Substituted nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2015-03-17 US disclosed
US-8871737-B2 Substituted nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2014-10-28 US disclosed
US-20130190320-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ACEA BIOSCIENCES, INC. (US) 2013-07-25 US disclosed
US-20130164261-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2013-06-27 US disclosed
US-20120178767-A1 TREATMENT OF LIVER DISORDERS WITH P13K INHIBITORS GILEAD CALISTOGA LLC (US) 2012-07-12 US disclosed
US-20120149657-A1 2'-FLUORO ARABINO NUCLEOSIDES AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (AL) 2012-06-14 US disclosed
US-20120071434-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 US disclosed
US-20100216820-A1 THIENOPYRIMIDIONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS ICOS CORPORATION 2010-08-26 US disclosed
US-7671036-B2 Positively-charged peptide nucleic acid analogs with improved properties YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2010-03-02 US disclosed
US-7572898-B2 Process of making an alpha-anomer enriched 2-deoxy-2,2-difluoro-D-ribofuranosyl sulfonate and use thereof for making a beta nucleoside SCINOPHARM TAIWAN, LTD. (TW) 2009-08-11 US disclosed
US-20080108612-A1 6-(phenylmethyl)amino-1H-purine; chaperone protein inhibitor; anticarcinogenic agent AVENTIS PHARMA S.A. (FR) 2008-05-08 US disclosed
US-20070179100-A1 Protected monomers ALNYLAM PHARMACEUTICALS, INC. 2007-08-02 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-20160137610-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith EGFR, ERBB2, BRCA1 CDK1 1056/4885YTHDC1 4760/4885ADORA2A 2554/4885
US-20100216820-A1 THIENOPYRIMIDIONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS PIK3CA, PIK3CD, PIK3CB CDK1 59/4885YTHDC1 4549/4885ADORA2A 1150/4885
US-20120178767-A1 TREATMENT OF LIVER DISORDERS WITH P13K INHIBITORS PYGL, PRKCZ, PHKG1 CDK1 464/4885YTHDC1 4765/4885ADORA2A 4199/4885
US-20080108612-A1 6-(phenylmethyl)amino-1H-purine; chaperone protein inhibitor; anticarcinogenic agent HSP90B1, HSPBP1, HSP90AB2P CDK1 780/4885YTHDC1 2643/4885ADORA2A 1000/4885
US-20130164261-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP CDK1 1837/4885YTHDC1 2073/4885ADORA2A 252/4885
US-20120149657-A1 2'-FLUORO ARABINO NUCLEOSIDES AND USE THEREOF SLC29A2, DUT, SLC29A1 CDK1 1985/4885YTHDC1 394/4885ADORA2A 55/4885
US-20120071434-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP CDK1 1837/4885YTHDC1 2073/4885ADORA2A 252/4885
US-20150141363-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP CDK1 1837/4885YTHDC1 2073/4885ADORA2A 252/4885
US-20130190320-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ERBB2, EGFR, ERBB3 CDK1 250/4885YTHDC1 4778/4885ADORA2A 2012/4885
US-20070179100-A1 Protected monomers PCNA, POLN, PARP1 CDK1 2666/4885YTHDC1 334/4885ADORA2A 3238/4885

“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.