SCHEMBL13608769

SCHEMBL13608769

Cc1ccc(CCCN=[N+]=[N-])cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.47
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2A6 P11509 1/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.45
▸ IGF1R P08069 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HRH1 P35367 1/20 0.41
▸ C3AR1 Q16581 2/20 0.40
▸ IDO1 P14902 1/20 0.38
▸ KCNH2 Q12809 2/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ SCN2A Q99250 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ PDPK1 O15530 1/20 0.36
▸ AGXT P21549 1/20 0.34

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
SCHEMBL26316554 0.94 ADRB2 (0.48) ADRB2CYP1A2CYP2A6TAAR1IGF1R
SCHEMBL21084402 0.91 ADRB2 (0.48) ADRB2IGF1RALOX15PDPK1
SCHEMBL13608766 0.87 CYP1A2 (0.48) ADRB2CYP1A2CYP2A6TAAR1IGF1R
SCHEMBL16674489 0.85 ADRB2 (0.49) ADRB2IGF1RALOX15PDPK1
SCHEMBL25232794 0.82 HTR3E (0.48) ADRB2TAAR1IGF1RALOX15C3AR1
SCHEMBL14356992 0.82 TAAR1 (0.43) ADRB2TAAR1C3AR1IDO1PDPK1
SCHEMBL14080940 0.82 ADRB2 (0.43) ADRB2IDO1PDPK1
SCHEMBL14937214 0.82 ESR1 (0.50) ADRB2TAAR1IGF1RALOX15
SCHEMBL16212606 0.82 MAOB (0.50) ADRB2PDPK1
SCHEMBL16212624 0.82 TAAR1 (0.43) ADRB2TAAR1IDO1PDPK1

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-8546441-B2 PDK-1/AKT signaling inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 — — US disclosed
US-8541460-B2 Phosphoinositide-dependent kinase-1 (PDK-1) inhibitors; for the treatment and prevention of cancer in humans; 4-[5-(2-Phenanthracenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-benzenecarboxamide THE OHIO STATE UNIVERSITY (US) 2013-09-24 — — 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-8080574-B2 PDK-1/Akt signaling inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-12-20 — — US disclosed
US-8039502-B2 Anti-infective agents against intracellular pathogens THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-10-18 — — US disclosed
US-20110015242-A1 PDK-1/AKT SIGNALING INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-01-20 — — US disclosed
US-20090281328-A1 PDK-1/AKT SIGNALING INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-12 — — US disclosed
US-7576116-B2 PDK-1/Akt signaling inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-08-18 — — US disclosed
US-20090111799-A1 ANTI-INFECTIVE AGENTS AGAINST INTRACELLULAR PATHOGENS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-04-30 — — US disclosed
US-20080269309-A1 PDK-1/AKT SIGNALING INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2008-10-30 — — US disclosed
US-20080146815-A1 PDK-1/AKT SIGNALING INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2008-06-19 — — 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 ADRB2 428/4885CYP1A2 2897/4885CYP2A6 4317/4885
US-20090281328-A1 PDK-1/AKT SIGNALING INHIBITORS PDPK1, PDXK, PI4KA ADRB2 805/4885CYP1A2 2119/4885CYP2A6 3508/4885
US-20130237575-A1 ANTI-INFECTIVE AGENTS AGAINST INTRACELLULAR PATHOGENS PDPK1, PLK3, SIK3 ADRB2 2874/4885CYP1A2 4788/4885CYP2A6 4860/4885
US-20080146815-A1 PDK-1/AKT SIGNALING INHIBITORS PDPK1, PDXK, PI4KA ADRB2 817/4885CYP1A2 2123/4885CYP2A6 3515/4885
US-20080269309-A1 PDK-1/AKT SIGNALING INHIBITORS PDPK1, TNNI3K, MAP3K1 ADRB2 428/4885CYP1A2 2897/4885CYP2A6 4317/4885
US-20130109681-A1 ANTI-INFECTIVE AGENTS AGAINST INTRACELLULAR PATHOGENS PDPK1, PLK3, SIK3 ADRB2 2874/4885CYP1A2 4788/4885CYP2A6 4860/4885
US-20090111799-A1 ANTI-INFECTIVE AGENTS AGAINST INTRACELLULAR PATHOGENS PDPK1, PLK3, SIK3 ADRB2 2874/4885CYP1A2 4788/4885CYP2A6 4860/4885

“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.

Send feedback