SCHEMBL2185452

SCHEMBL2185452

Cc1ccc(-c2cc(C(=O)NCc3cnc(C)nc3)cc(N3CCNCC3=O)c2)c(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 7/20 0.42
P2RX2 Q9UBL9 7/20 0.42
WDR5 P61964 1/20 0.40
KLKB1 P03952 7/20 0.38
AKR1C3 P42330 1/20 0.35
CHRM3 P20309 2/20 0.35

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
SCHEMBL2185479 0.92 WDR5 (0.41) P2RX3P2RX2WDR5KLKB1AKR1C3
SCHEMBL2183989 0.86 P2RX3 (0.46) P2RX3P2RX2WDR5KLKB1
SCHEMBL3476375 0.82 CA12 (0.34) KLKB1
SCHEMBL7950915 0.81 WDR5 (0.43) P2RX3P2RX2WDR5AKR1C3
SCHEMBL2185316 0.79 P2RX3 (0.39) P2RX3P2RX2WDR5KLKB1
SCHEMBL1495502 0.79 P2RX3 (0.41) P2RX3P2RX2WDR5KLKB1
SCHEMBL2186337 0.78 P2RX3 (0.49) P2RX3P2RX2WDR5AKR1C3
SCHEMBL12757696 0.78 WDR5 (0.46) P2RX3P2RX2WDR5KLKB1AKR1C3
SCHEMBL12757542 0.76 WDR5 (0.42) P2RX3P2RX2WDR5KLKB1AKR1C3
SCHEMBL12757685 0.75 P2RX3 (0.43) P2RX3P2RX2WDR5KLKB1AKR1C3

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 8 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

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 P2RX3 207/4885P2RX2 240/4885WDR5 1917/4885
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF IL1B, ADORA2B, AVPR1B P2RX3 219/4885P2RX2 259/4885WDR5 1801/4885

“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.