SCHEMBL2602375

SCHEMBL2602375

Cc1ccc(-c2nc3cccnc3n2-c2ccc(C)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 7/20 0.68
AKT2 P31751 3/20 0.68
AKT3 Q9Y243 1/20 0.52
PDE4B Q07343 1/20 0.52
ALDH1A1 P00352 5/20 0.51
PDE10A Q9Y233 3/20 0.51
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
PABPC1 P11940 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 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
SCHEMBL2602421 0.93 AKT1 (0.68) AKT1AKT2AKT3PDE4BALDH1A1
SCHEMBL2618366 0.93 AKT1 (0.61) AKT1AKT2AKT3PDE4BALDH1A1
SCHEMBL13998690 0.92 AKT1 (0.67) AKT1AKT2AKT3PDE4BPDE10A
SCHEMBL2602412 0.87 AKT1 (0.58) AKT1AKT2AKT3PDE4BALDH1A1
SCHEMBL2602422 0.87 ALDH1A1 (0.65) AKT1AKT2AKT3PDE4BALDH1A1
SCHEMBL15157761 0.87 AKT1 (0.73) AKT1AKT2AKT3PDE4BPDE10A
SCHEMBL804897 0.87 ALDH1A1 (0.60) AKT1AKT2AKT3PDE4BALDH1A1
SCHEMBL13916708 0.86 ALDH1A1 (0.58) AKT1AKT2AKT3PDE4BALDH1A1
SCHEMBL2602420 0.85 AKT1 (0.56) AKT1AKT2AKT3PDE4BPDE10A
SCHEMBL2602419 0.84 AKT1 (0.60) AKT1AKT2AKT3PDE4BPDE10A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20120095037-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES SPELMAN COLLEGE (US) 2012-04-19 US disclosed
US-8106084-B2 Synthesis and anti-proliferative effect of benzimidazole derivatives SPELMAN COLLEGE (US) 2012-01-31 US disclosed
US-20110152278-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES SPELMAN COLLEGE (US) 2011-06-23 US disclosed
US-7947723-B2 Synthesis and anti-proliferative effect of benzimidazole derivatives SPELMAN COLLEGE (US) 2011-05-24 US disclosed
US-20090197889-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES SPELMAN COLLEGE (US) 2009-08-06 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 (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-20120095027-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES TYMP, MKI67, CCNI AKT1 1561/4885AKT2 1198/4885AKT3 913/4885
US-20120095037-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES MKI67, CCNI, TYMP AKT1 1576/4885AKT2 1216/4885AKT3 929/4885
US-20090197889-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES MKI67, PCNA, CCNI AKT1 2065/4885AKT2 1679/4885AKT3 1170/4885
US-20120095009-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES MKI67, CCNI, TYMP AKT1 1696/4885AKT2 1043/4885AKT3 856/4885
US-20110152278-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES MKI67, PCNA, CCNI AKT1 2065/4885AKT2 1679/4885AKT3 1170/4885
US-20120095038-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES MKI67, CCNI, TYMP AKT1 1634/4885AKT2 1287/4885AKT3 887/4885

“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.