SCHEMBL784611

SCHEMBL784611

Cc1cn(C(C)C)c(=O)nc1C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EGFR P00533 1/20 0.31
PTK2 Q05397 1/20 0.31
USP2 O75604 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 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
SCHEMBL14769820 0.81 ALDH1A1 (0.36) ALDH1A1HPGDSMN1; SMN2
SCHEMBL15032497 0.80
SCHEMBL12206794 0.80 ADORA2A (0.36) SMN1; SMN2CDK1CCNB1CCNE1CDK2
SCHEMBL15468852 0.80 ADORA2A (0.33)
SCHEMBL14769830 0.79 SMN1; SMN2 (0.33) KDM4ESMN1; SMN2
SCHEMBL17282462 0.77 KDM4E (0.33) KDM4ESMN1; SMN2EGFRPTK2
SCHEMBL21392460 0.72 LMNA (0.33)
SCHEMBL26772821 0.72 NQO1 (0.33) ALDH1A1
SCHEMBL2515269 0.71 KDM4E (0.34) ALDH1A1KDM4EGLAHPGDSMN1; SMN2
SCHEMBL26354716 0.71 ALDH1A1 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180079774-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. 2018-03-22 US disclosed
US-9862743-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2018-01-09 US disclosed
US-20170143751-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2017-05-25 US disclosed
US-20160331770-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2016-11-17 US disclosed
US-9441007-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2016-09-13 US disclosed
US-9422322-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2016-08-23 US disclosed
US-9346848-B2 Azido nucleosides and nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2016-05-24 US disclosed
US-9315535-B2 Nucleoside and nucleotide having nitrogen-containing heterocycle structure SHIONOGI & CO., LTD. (JP) 2016-04-19 US disclosed
US-20150368287-A1 NUCLEOSIDE AND NUCLEOTIDE HAVING NITROGEN-CONTAINING HETEROCYCLE STRUCTURE SHIONOGI & CO., LTD. (JP) 2015-12-24 US disclosed
US-20150337002-A1 NUCLEOSIDE AND NUCLEOTIDE HAVING SULFONAMIDE STRUCTURE SHIONOGI & CO., LTD. (JP) 2015-11-26 US disclosed
US-8980865-B2 Substituted nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2015-03-17 US disclosed
US-20150051167-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2015-02-19 US disclosed
US-20150005251-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF JANSSEN PHARMACEUTICA NV 2015-01-01 US disclosed
US-20140303108-A1 CYCLIC NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. 2014-10-09 US disclosed
US-8772474-B2 Cyclic nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2014-07-08 US disclosed
US-20130252920-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A THIONUCLEOTIDE ANALOG VERTEX PHARMACEUTICALS INC. (US) 2013-09-26 US disclosed
US-20130165400-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2013-06-27 US disclosed
US-20130164261-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2013-06-27 US disclosed
US-20120165286-A1 CYCLIC NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-06-28 US disclosed
US-20120070415-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 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 (13 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-20140303108-A1 CYCLIC NUCLEOTIDE ANALOGS NT5C2, NTPCR, PNP ALDH1A1 2755/4885KDM4E 4023/4885GLA 3411/4885
US-20130165400-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, ADAR ALDH1A1 3576/4885KDM4E 2699/4885GLA 3760/4885
US-20180079774-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B ALDH1A1 1153/4885KDM4E 3122/4885GLA 3103/4885
US-20150368287-A1 NUCLEOSIDE AND NUCLEOTIDE HAVING NITROGEN-CONTAINING HETEROCYCLE STRUCTURE NSUN2, NT5C3B, PNP ALDH1A1 4655/4885KDM4E 3470/4885GLA 2762/4885
US-20160331770-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, ADAR ALDH1A1 3576/4885KDM4E 2699/4885GLA 3760/4885
US-20130164261-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP ALDH1A1 2567/4885KDM4E 3498/4885GLA 3874/4885
US-20150051167-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, ADAR ALDH1A1 3576/4885KDM4E 2699/4885GLA 3760/4885
US-20170143751-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B ALDH1A1 2125/4885KDM4E 3768/4885GLA 2335/4885
US-20150337002-A1 NUCLEOSIDE AND NUCLEOTIDE HAVING SULFONAMIDE STRUCTURE NSUN2, NR2E3, NR0B2 ALDH1A1 4270/4885KDM4E 3879/4885GLA 3474/4885
US-20130252920-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A THIONUCLEOTIDE ANALOG TYMP, POLN, POLRMT ALDH1A1 1869/4885KDM4E 4682/4885GLA 2228/4885
US-20120165286-A1 CYCLIC NUCLEOTIDE ANALOGS NT5C2, NTPCR, PNP ALDH1A1 2755/4885KDM4E 4023/4885GLA 3411/4885
US-20120070415-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS PNP, ADA, ADAR ALDH1A1 2053/4885KDM4E 3467/4885GLA 2143/4885
US-20150005251-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NT5C2 ALDH1A1 3169/4885KDM4E 3087/4885GLA 3259/4885

“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.