SCHEMBL2174441

SCHEMBL2174441

Cc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(-c3cccnc3)c2)nc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.52
CYP3A4 P08684 1/20 0.51
CYP2A6 P11509 1/20 0.51
P2RX3 P56373 5/20 0.51
P2RX2 Q9UBL9 5/20 0.51
HCRTR1 O43613 5/20 0.49
HCRTR2 O43614 5/20 0.49
MMP13 P45452 1/20 0.47
NAMPT P43490 1/20 0.47
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL2172216 0.91 P2RX3 (0.53) WDR5P2RX3P2RX2
SCHEMBL2174140 0.90 WDR5 (0.55) WDR5P2RX3P2RX2
SCHEMBL2172242 0.88 P2RX3 (0.52) WDR5P2RX3P2RX2
SCHEMBL2173301 0.84 P2RX3 (0.52) WDR5P2RX3P2RX2
SCHEMBL2174791 0.83 P2RX3 (0.50) WDR5P2RX3P2RX2
SCHEMBL2172976 0.83 P2RX3 (0.54) WDR5P2RX3P2RX2
SCHEMBL2173507 0.83 WDR5 (0.49) WDR5P2RX3P2RX2
SCHEMBL2171038 0.83 AKR1C4 (0.54) WDR5P2RX3P2RX2
SCHEMBL2170998 0.83 P2RX3 (0.49) WDR5P2RX3P2RX2
SCHEMBL2173511 0.82 P2RX3 (0.47) WDR5P2RX3P2RX2

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-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-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-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
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 1917/4885CYP3A4 2049/4885CYP2A6 1290/4885
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF IL1B, ADORA2B, AVPR1B WDR5 1801/4885CYP3A4 2158/4885CYP2A6 1296/4885

“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.