SCHEMBL2172277

SCHEMBL2172277

Cc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(-c3ccncc3)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 3/20 0.60
HDAC1 Q13547 2/20 0.54
GAA P10253 1/20 0.53
AKR1C3 P42330 4/20 0.51
AKR1C4 P17516 3/20 0.51
AKR1C2 P52895 3/20 0.51
AKR1C1 Q04828 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
ROCK2 O75116 2/20 0.49
ROCK1 Q13464 2/20 0.49
RPS6KA5 O75582 1/20 0.49
MAP4K4 O95819 1/20 0.49
PRKCG P05129 1/20 0.49
PRKACA P17612 1/20 0.49
RPS6KB1 P23443 1/20 0.49
MAPK1 P28482 1/20 0.49
AKT1 P31749 1/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
PRKX P51817 1/20 0.49

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
SCHEMBL2382517 0.94 WDR5 (0.57) WDR5HDAC1AKR1C3AKR1C4AKR1C2
SCHEMBL2174140 0.91 WDR5 (0.55) WDR5GAA
SCHEMBL2383585 0.90 WDR5 (0.53) WDR5HDAC1AKR1C3AKR1C4AKR1C2
SCHEMBL7951546 0.89 WDR5 (0.55) WDR5HDAC1AKR1C3AKR1C4AKR1C2
SCHEMBL1495633 0.87 AKR1C3 (0.55) WDR5HDAC1AKR1C3AKR1C4AKR1C2
SCHEMBL1495635 0.87 WDR5 (0.50) WDR5HDAC1GAAAKR1C3AKR1C4
SCHEMBL17099444 0.87 WDR5 (0.50) WDR5HDAC1GAAAKR1C3AKR1C4
SCHEMBL2381741 0.87 AKR1C3 (0.61) WDR5HDAC1GAAAKR1C3AKR1C4
SCHEMBL12757596 0.86 WDR5 (0.57) WDR5HDAC1AKR1C3AKR1C4AKR1C2
SCHEMBL2173629 0.86 AKR1C3 (0.54) WDR5HDAC1AKR1C3AKR1C4AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133122-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-09-15 US disclosed
US-9133122-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-09-15 US disclosed
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2014-10-30 US disclosed
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2014-10-30 US disclosed
US-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-09-29 US disclosed
US-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-09-29 US disclosed
US-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-09-29 US disclosed
EP-2346825-A2 MODULATORS OF P2X3 RECEPTOR ACTIVITY Evotec AG (DE) 2011-07-27 EP disclosed
WO-2010033168-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2010-03-25 WO 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 (2 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-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF ADORA2B, IL1B, AVPR1B WDR5 1917/4885HDAC1 560/4885GAA 2732/4885
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF IL1B, ADORA2B, AVPR1B WDR5 1801/4885HDAC1 442/4885GAA 3106/4885

“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.