SCHEMBL2867588

SCHEMBL2867588

[NH]c1nc(N)nc2nc[nH]c12

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.66
GDA Q9Y2T3 1/20 0.66
CDK2 P24941 11/20 0.61
DPP4 P27487 1/20 0.61
MAP3K5 Q99683 1/20 0.56
CDK1 P06493 11/20 0.51
CCNB1 P14635 11/20 0.51
CCNA2 P20248 10/20 0.51
CCNA1 P78396 10/20 0.51
MGMT P16455 5/20 0.49
PIN1 Q13526 2/20 0.49
POLB P06746 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
HRH4 Q9H3N8 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
2,6-Diaminopurine SCHEMBL24053 0.79 PDPK1 (1.00) PDPK1GDACDK2DPP4MAP3K5
2,6-Diaminopurine SCHEMBL28206545 0.78 PDPK1 (0.96) PDPK1GDACDK2DPP4MAP3K5
2,6-Diaminopurine SCHEMBL8757979 0.78 PDPK1 (0.96) PDPK1GDACDK2DPP4MAP3K5
2,6-Diaminopurine SCHEMBL27891733 0.78 PDPK1 (0.96) PDPK1GDACDK2DPP4MAP3K5
2,6-Diaminopurine SCHEMBL29143272 0.76 PDPK1 (0.92) PDPK1GDACDK2DPP4MAP3K5
Thioguanine SCHEMBL183648 0.76 PDPK1 (0.66) PDPK1GDACDK2DPP4MAP3K5
6-Chloroguanine SCHEMBL64059 0.76 DPP4 (1.00) PDPK1GDACDK2DPP4MAP3K5
SCHEMBL355362 0.76 PDPK1 (0.66) PDPK1GDACDK2DPP4MAP3K5
SCHEMBL1336875 0.76 PDPK1 (0.66) PDPK1GDACDK2DPP4MAP3K5
SCHEMBL135690 0.76 CDK2 (1.00) PDPK1GDACDK2DPP4MAP3K5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11597745-B2 β-modified phosphoric acid compound precursor, β-modified phosphoric acid compound, reaction inhibitor and medicine containing the same, and method for inhibiting reaction JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2023-03-07 US claimed
EP-1212339-B1 2'-O-ACETAMIDO MODIFIED MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS INC (US) 2008-12-31 EP claimed
US-20070179100-A1 Protected monomers ALNYLAM PHARMACEUTICALS, INC. 2007-08-02 US claimed
EP-1625138-A2 PROTECTED MONOMERS Alnylam Pharmaceuticals Inc. (US) 2006-02-15 EP claimed
EP-1499627-A2 NUCLEASE RESISTANT CHIMERIC OLIGONUCLEOTIDES ISIS Pharmaceuticals, Inc. (US) 2005-01-26 EP claimed
WO-2004094345-A2 PROTECTED MONOMERS ALNYLAM PHARMACEUTICALS INC. (US) 2004-11-04 WO claimed
US-20040033973-A1 Compounds and oligomeric compounds comprising novel nucleobases ISIS PHARMACEUTICALS, INC. 2004-02-19 US claimed
US-6649750-B1 Nucleoside linked to a support through heterocyclic base and amide bond; deblocking/deprotecting; capping/oxidizing; purity; reduced levels of byproducts containing abasic sites ISIS PHARMACEUTICALS, INC. 2003-11-18 US claimed
US-20030207804-A1 Modified peptide nucleic acids ISIS PHARMACEUTICALS, INC. 2003-11-06 US claimed
US-6639062-B2 Oligonucleotides which elicit ribonuclease for cleavage in complementary nucleic acid strand, having increased binding affinity/nuclease resistance; for medical diagnosis, gene therapy ISIS PHARMACEUTICALS, INC. 2003-10-28 US claimed
US-20030175906-A1 Nuclease resistant chimeric oligonucleotides ISIS PHARMACEUTICALS, INC. 2003-09-18 US claimed
US-20030158403-A1 Nuclease resistant chimeric oligonucleotides ISIS PHARMACEUTICALS, INC. 2003-08-21 US claimed
WO-2003004602-A2 NUCLEASE RESISTANT CHIMERIC OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 2003-01-16 WO claimed
WO-2002097134-A2 MODIFIED PEPTIDE NUCLEIC ACID ISIS PHARMACEUTICALS, INC. (US) 2002-12-05 WO claimed
EP-1212339-A4 2'-O-ACETAMIDO MODIFIED MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS INC (US) 2002-09-18 EP claimed
EP-1212339-A1 2'-O-ACETAMIDO MODIFIED MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS, INC. (US) 2002-06-12 EP claimed
US-6271358-B1 FOR INHIBITING SPECIFIC GENE EXPRESSION; HAVING ENHANCED HYBRID BINDING AFFINITY AND/OR INCREASED NUCLEASE RESISTANCE ISIS PHARMACEUTICALS, INC. 2001-08-07 US claimed
WO-2001014400-A1 2'-O-ACETAMIDO MODIFIED MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS, INC. (US) 2001-03-01 WO claimed
US-6147200-A NUCLEOSIDES FOR SOLID PHASE SYNTHESIS OF OLIGONUCLEOTIDES HAVING INCREASED NUCLEASE RESISTANCE AND BETTER BINDING AFFINITY; DIAGNOSIS; ANTISENSE THERAPY ISIS PHARMACEUTICALS, INC. (US) 2000-11-14 US claimed
US-6127533-A SPECIFICALLY HYBRIDIZABLE WITH A SELECTED SEQUENCE OF RNA OR DNA; DIAGNOSIS OF DISEASES ISIS PHARMACEUTICALS, INC. (US) 2000-10-03 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20040033973-A1 Compounds and oligomeric compounds comprising novel nucleobases NT5C3B, NUDT1, NME4 PDPK1 3710/4885GDA 354/4885CDK2 773/4885
US-20030158403-A1 Nuclease resistant chimeric oligonucleotides RNASE1, DIS3, DCLRE1B PDPK1 4222/4885GDA 276/4885CDK2 2894/4885
US-20030207804-A1 Modified peptide nucleic acids NGLY1, PARN, NPPA PDPK1 3943/4885GDA 555/4885CDK2 3658/4885
US-20030175906-A1 Nuclease resistant chimeric oligonucleotides DIS3, RNASE1, DCLRE1B PDPK1 4486/4885GDA 270/4885CDK2 2900/4885
US-11597745-B2 β-modified phosphoric acid compound precursor, β-modified phosphoric acid compound, reaction inhibitor and medicine containing the same, and method for inhibiting reaction PPM1A, PPM1G, PPM1F PDPK1 116/4885GDA 3789/4885CDK2 225/4885
US-20070179100-A1 Protected monomers PCNA, POLN, PARP1 PDPK1 4540/4885GDA 279/4885CDK2 2995/4885

“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.