SCHEMBL2187309

SCHEMBL2187309

Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cnc(C)nc3)cc(-c3cccc(F)c3F)c2)nc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 12/20 0.56
P2RX2 Q9UBL9 11/20 0.56
NR1I2 O75469 3/20 0.56
CYP2C9 P11712 2/20 0.52
UGT1A1 P22309 1/20 0.44
ROCK2 O75116 2/20 0.43
PRKG1 Q13976 2/20 0.43
PRKACA P17612 1/20 0.43
PRKACG P22612 1/20 0.43
PRKACB P22694 1/20 0.43
AKT1 P31749 1/20 0.43
DGAT2 Q96PD7 1/20 0.42
CTSA P10619 1/20 0.41

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
SCHEMBL2185817 0.89 P2RX3 (0.52) P2RX3P2RX2NR1I2CYP2C9UGT1A1
SCHEMBL2171499 0.85 P2RX3 (0.61) P2RX3P2RX2NR1I2
SCHEMBL12256498 0.84 NR1I2 (0.51) P2RX3P2RX2NR1I2CYP2C9UGT1A1
SCHEMBL2187046 0.83 NR1I2 (0.50) P2RX3P2RX2NR1I2CYP2C9UGT1A1
SCHEMBL12256509 0.83 NR1I2 (0.49) P2RX3P2RX2NR1I2CYP2C9UGT1A1
SCHEMBL2188226 0.83 NR1I2 (0.49) P2RX3P2RX2NR1I2CYP2C9UGT1A1
SCHEMBL7947489 0.82 P2RX3 (0.50) P2RX3P2RX2NR1I2CYP2C9UGT1A1
SCHEMBL2186631 0.82 NR1I2 (0.49) P2RX3P2RX2NR1I2CYP2C9UGT1A1
SCHEMBL17244632 0.81 NR1I2 (0.57) P2RX3P2RX2NR1I2CYP2C9
SCHEMBL2380519 0.80 NR1I2 (0.56) P2RX3P2RX2NR1I2CYP2C9

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 240/4885NR1I2 400/4885
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF IL1B, ADORA2B, AVPR1B P2RX3 219/4885P2RX2 259/4885NR1I2 461/4885

“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.