SCHEMBL2170747

SCHEMBL2170747

COC(=O)c1cc(-c2ccc(C)cn2)cc(-c2cc(C(F)(F)F)ccc2C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 7/20 0.40
NR1I2 O75469 2/20 0.40
CYP2C9 P11712 1/20 0.40
S1PR1 P21453 1/20 0.39
SYK P43405 1/20 0.39
DHODH Q02127 1/20 0.38
PDGFRB P09619 1/20 0.38
KDR P35968 1/20 0.38
LMNA P02545 1/20 0.37
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
WNT3A P56704 1/20 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
SCHEMBL2171221 0.89 SYK (0.44) S1PR3NR1I2CYP2C9S1PR1SYK
SCHEMBL7939408 0.85 CFTR (0.44) NR1I2CYP2C9DHODHPDGFRBKDR
SCHEMBL2171259 0.83 P2RX3 (0.55) NR1I2CYP2C9ALOX5APFEN1
SCHEMBL2188019 0.80 SYK (0.40) S1PR3NR1I2CYP2C9S1PR1SYK
SCHEMBL2173127 0.77 XDH (0.43) S1PR3SYKMEN1KMT2AMAPT
SCHEMBL20530639 0.77 PTGDR2 (0.47) SYK
SCHEMBL2172421 0.77 P2RX3 (0.49) NR1I2CYP2C9
SCHEMBL2172428 0.77 P2RX3 (0.49) NR1I2CYP2C9
SCHEMBL1495784 0.76 TDP1 (0.49) NR1I2CYP2C9KDM4EMAPT
SCHEMBL2188021 0.75 XDH (0.43) S1PR3S1PR1SYKWNT3A

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 11 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

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 S1PR3 4011/4885NR1I2 400/4885CYP2C9 1433/4885
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF IL1B, ADORA2B, AVPR1B S1PR3 4133/4885NR1I2 461/4885CYP2C9 1604/4885

“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.