SCHEMBL2171055

SCHEMBL2171055

COc1ncc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(-c3ccc(C)cc3)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.49
AKR1C3 P42330 13/20 0.49
AKR1C4 P17516 8/20 0.47
AKR1C2 P52895 8/20 0.47
HDAC1 Q13547 3/20 0.47
AKR1C1 Q04828 3/20 0.47
CHRM4 P08173 1/20 0.46
TP53 P04637 1/20 0.45
KDM1A O60341 1/20 0.43

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 0.90 WDR5 (0.57) WDR5AKR1C3AKR1C4AKR1C2HDAC1
SCHEMBL2174791 0.90 P2RX3 (0.50) WDR5
SCHEMBL2381741 0.89 AKR1C3 (0.61) WDR5AKR1C3AKR1C4AKR1C2HDAC1
SCHEMBL2384091 0.87 WDR5 (0.53) WDR5AKR1C3AKR1C4AKR1C2HDAC1
SCHEMBL2383585 0.86 WDR5 (0.53) WDR5AKR1C3AKR1C4AKR1C2HDAC1
SCHEMBL2382724 0.85 AURKA (0.54) WDR5AKR1C3AKR1C4AKR1C2TP53
SCHEMBL7951546 0.85 WDR5 (0.55) WDR5AKR1C3AKR1C4AKR1C2HDAC1
SCHEMBL2172277 0.85 WDR5 (0.60) WDR5AKR1C3AKR1C4AKR1C2HDAC1
SCHEMBL2382726 0.84 SMN1; SMN2 (0.47) WDR5AKR1C3AKR1C4AKR1C2HDAC1
SCHEMBL1495633 0.84 AKR1C3 (0.55) WDR5AKR1C3AKR1C4AKR1C2HDAC1

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 1917/4885AKR1C3 893/4885AKR1C4 994/4885
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF IL1B, ADORA2B, AVPR1B WDR5 1801/4885AKR1C3 973/4885AKR1C4 1109/4885

“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.