SCHEMBL2602397

SCHEMBL2602397

Cc1cc(-c2ccc3c(ccc4ccccc43)c2)n(-c2ccc(NC(=N)N)cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 12/20 0.62
CA9 Q16790 1/20 0.49
PTGS2 P35354 3/20 0.48
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42

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
SCHEMBL15000396 0.94 PDPK1 (0.55) PDPK1CA9PTGS2ALDH1A1HPGD
SCHEMBL12054881 0.87 PDPK1 (0.75) PDPK1CA9PTGS2ALDH1A1HPGD
SCHEMBL14825410 0.85 PDPK1 (0.62) PDPK1CA9PTGS2ALDH1A1HPGD
SCHEMBL978943 0.84 PDPK1 (0.85) PDPK1CA9PTGS2
SCHEMBL12054869 0.84 PDPK1 (0.53) PDPK1CA9PTGS2ALDH1A1HPGD
SCHEMBL15346895 0.83 PDPK1 (0.72) PDPK1CA9PTGS2ALDH1A1HPGD
SCHEMBL15346853 0.83 PDPK1 (0.56) PDPK1CA9PTGS2ALDH1A1HPGD
SCHEMBL2718361 0.82 PTGS2 (0.64) PDPK1CA9PTGS2
SCHEMBL15248071 0.82 PDPK1 (0.55) PDPK1CA9PTGS2ALDH1A1HPGD
SCHEMBL16200829 0.81 PDPK1 (0.59) PDPK1CA9PTGS2ALDH1A1HPGD

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
US-8741944-B2 Anti-infective agents against intracellular pathogens THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2014-06-03 US disclosed
US-20130237575-A1 ANTI-INFECTIVE AGENTS AGAINST INTRACELLULAR PATHOGENS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-09-12 US disclosed
US-8445483-B1 Anti-infective agents against intracellular pathogens THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-05-21 US disclosed
US-20130109681-A1 ANTI-INFECTIVE AGENTS AGAINST INTRACELLULAR PATHOGENS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-05-02 US disclosed
US-8362019-B2 Synthesis and anti-proliferative effect of substituted imidazo[4,5-b]pyrazine compounds SPELMAN COLLEGE (US) 2013-01-29 US disclosed
US-8357691-B2 Synthesis and anti-proliferative effect of benzimidazole derivatives SPELMAN COLLEGE (US) 2013-01-22 US disclosed
US-8334302-B2 Synthesis and anti-proliferative effect of substituted imidazo[4,5-b]pyridine compounds SPELMAN COLLEGE (US) 2012-12-18 US disclosed
US-8329728-B2 Synthesis and anti-proliferative effect of substituted imidazo[4,5-c]pyridine compounds SPELMAN COLLEGE (US) 2012-12-11 US disclosed
US-20120095037-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES SPELMAN COLLEGE (US) 2012-04-19 US disclosed
US-20120095027-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES SPELMAN COLLEGE (US) 2012-04-19 US disclosed
US-20120095009-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES SPELMAN COLLEGE (US) 2012-04-19 US disclosed
US-20120095038-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES SPELMAN COLLEGE (US) 2012-04-19 US disclosed
US-8080574-B2 PDK-1/Akt signaling inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-12-20 US disclosed
US-20110015242-A1 PDK-1/AKT SIGNALING INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-01-20 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 (7 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-20110015242-A1 PDK-1/AKT SIGNALING INHIBITORS PDPK1, TNNI3K, MAP3K1 PDPK1 1/4885CA9 4094/4885PTGS2 2366/4885
US-20120095027-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES TYMP, MKI67, CCNI PDPK1 788/4885CA9 2855/4885PTGS2 722/4885
US-20120095037-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES MKI67, CCNI, TYMP PDPK1 794/4885CA9 2794/4885PTGS2 734/4885
US-20130237575-A1 ANTI-INFECTIVE AGENTS AGAINST INTRACELLULAR PATHOGENS PDPK1, PLK3, SIK3 PDPK1 1/4885CA9 4603/4885PTGS2 3793/4885
US-20120095009-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES MKI67, CCNI, TYMP PDPK1 943/4885CA9 3281/4885PTGS2 606/4885
US-20130109681-A1 ANTI-INFECTIVE AGENTS AGAINST INTRACELLULAR PATHOGENS PDPK1, PLK3, SIK3 PDPK1 1/4885CA9 4603/4885PTGS2 3793/4885
US-20120095038-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES MKI67, CCNI, TYMP PDPK1 745/4885CA9 2726/4885PTGS2 780/4885

“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.