SCHEMBL2172428

SCHEMBL2172428

Cc1ccc(-c2cc(C(=O)NC(C)CN3CCOCC3)cc(-c3cc(C(F)(F)F)ccc3C#N)c2)nc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 7/20 0.49
P2RX2 Q9UBL9 7/20 0.49
HDAC4 P56524 4/20 0.46
HDAC6 Q9UBN7 2/20 0.46
NR1I2 O75469 1/20 0.41
CYP2C9 P11712 1/20 0.41
RAF1 P04049 2/20 0.41
BRAF P15056 2/20 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
SCHEMBL2172421 1.00 P2RX3 (0.49) P2RX3P2RX2HDAC4HDAC6NR1I2
SCHEMBL2185140 0.92 P2RX3 (0.53) P2RX3P2RX2HDAC4HDAC6
SCHEMBL16205285 0.89 P2RX3 (0.49) P2RX3P2RX2HDAC4HDAC6
SCHEMBL7939749 0.89 P2RX3 (0.51) P2RX3P2RX2HDAC4HDAC6NR1I2
SCHEMBL2171259 0.86 P2RX3 (0.55) P2RX3P2RX2NR1I2CYP2C9
SCHEMBL2171462 0.80 P2RX3 (0.53) P2RX3P2RX2HDAC4HDAC6NR1I2
SCHEMBL2171457 0.80 P2RX3 (0.53) P2RX3P2RX2HDAC4HDAC6NR1I2
SCHEMBL2171416 0.79 P2RX3 (0.53) P2RX3P2RX2HDAC4HDAC6NR1I2
SCHEMBL2275043 0.78 P2RX3 (0.50) P2RX3P2RX2HDAC4HDAC6NR1I2
SCHEMBL2171221 0.77 SYK (0.44) NR1I2CYP2C9

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 5 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-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
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 P2RX3 207/4885P2RX2 240/4885HDAC4 1841/4885
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF IL1B, ADORA2B, AVPR1B P2RX3 219/4885P2RX2 259/4885HDAC4 1757/4885

“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.