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 SCHEMBL8757979 0.78 PDPK1 (0.96) PDPK1GDACDK2DPP4MAP3K5
2,6-Diaminopurine SCHEMBL27891733 0.78 PDPK1 (0.96) PDPK1GDACDK2DPP4MAP3K5
2,6-Diaminopurine SCHEMBL28206545 0.78 PDPK1 (0.96) PDPK1GDACDK2DPP4MAP3K5
Thioguanine SCHEMBL183648 0.76 PDPK1 (0.66) PDPK1GDACDK2DPP4MAP3K5
2,6-Diaminopurine SCHEMBL29143272 0.76 PDPK1 (0.92) PDPK1GDACDK2DPP4MAP3K5
SCHEMBL320850 0.76 PDPK1 (0.66) PDPK1GDACDK2DPP4MAP3K5
SCHEMBL1336875 0.76 PDPK1 (0.66) PDPK1GDACDK2DPP4MAP3K5
SCHEMBL355362 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.

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