SCHEMBL2863092

SCHEMBL2863092

FC(F)(F)c1ccc(CNc2ncnc3c2CN(Cc2ccccc2)CC3)cn1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 10/20 0.66
P2RX2 Q9UBL9 10/20 0.66
FAAH O00519 1/20 0.52
CLPP Q16740 6/20 0.48
TRPV1 Q8NER1 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2867255 0.91 P2RX3 (0.55) P2RX3P2RX2FAAHCLPP
SCHEMBL2860308 0.86 P2RX3 (0.57) P2RX3P2RX2CLPPKDM4EALDH1A1
SCHEMBL2849779 0.85 FAAH (0.70) P2RX3P2RX2FAAHTRPV1
SCHEMBL2856878 0.83 P2RX3 (0.60) P2RX3P2RX2CLPPKDM4EALDH1A1
SCHEMBL12952363 0.82 CLPP (0.60) P2RX3P2RX2CLPPKDM4EALDH1A1
SCHEMBL4759871 0.81 P2RX3 (0.64) P2RX3P2RX2FAAH
SCHEMBL2867254 0.81 P2RX3 (0.64) P2RX3P2RX2FAAH
SCHEMBL2861019 0.80 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL16510168 0.78 BRS3 (0.49) P2RX3P2RX2CLPPKDM4EALDH1A1
SCHEMBL4872158 0.78 FAAH (0.73) P2RX3P2RX2FAAHTRPV1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139334-B1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2013-07-03 EP disclosed
EP-2139334-B1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2013-07-03 EP disclosed
US-20120149700-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSTIONS AND USES THEREOF WEI ZHI-LIANG (US) 2012-06-14 US disclosed
US-20120149700-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSTIONS AND USES THEREOF WEI ZHI-LIANG (US) 2012-06-14 US disclosed
US-20120149700-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSTIONS AND USES THEREOF WEI ZHI-LIANG (US) 2012-06-14 US disclosed
US-8076345-B2 2-cyanophenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine compounds, compositions and uses thereof EVOTEC AG (DE) 2011-12-13 US disclosed
US-8076345-B2 2-cyanophenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine compounds, compositions and uses thereof EVOTEC AG (DE) 2011-12-13 US disclosed
US-8076345-B2 2-cyanophenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine compounds, compositions and uses thereof EVOTEC AG (DE) 2011-12-13 US disclosed
EP-2139334-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-01-06 EP disclosed
US-20080275037-A1 2-Cyanophenyl fused heterocyclic compounds, and compositions and uses thereof EVOTEC AG (DE) 2008-11-06 US disclosed
US-20080275037-A1 2-Cyanophenyl fused heterocyclic compounds, and compositions and uses thereof EVOTEC AG (DE) 2008-11-06 US disclosed
US-20080275037-A1 2-Cyanophenyl fused heterocyclic compounds, and compositions and uses thereof EVOTEC AG (DE) 2008-11-06 US disclosed
WO-2008130481-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-30 WO disclosed
WO-2008130481-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-30 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-20120149700-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSTIONS AND USES THEREOF IL1B, IL1A, CRHR1 P2RX3 238/4885P2RX2 301/4885FAAH 581/4885
US-20080275037-A1 2-Cyanophenyl fused heterocyclic compounds, and compositions and uses thereof CNR2, CNR1, CBR1 P2RX3 335/4885P2RX2 316/4885FAAH 740/4885

“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.