SCHEMBL997141

SCHEMBL997141

C[C@@H](Nc1ncnc2c1CNCC2)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 19/20 0.56
P2RX2 Q9UBL9 3/20 0.43
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL997142 1.00 P2RX3 (0.56) P2RX3P2RX2CNR1CNR2
SCHEMBL2862214 0.80 P2RX3 (0.58) P2RX3P2RX2
SCHEMBL4759238 0.80 P2RX3 (0.58) P2RX3P2RX2
SCHEMBL4355291 0.75 SOS1 (0.34) P2RX3
SCHEMBL4339725 0.73 TTBK1 (0.51) CNR1CNR2
SCHEMBL997348 0.72 P2RX3 (1.00) P2RX3
SCHEMBL997350 0.72 P2RX3 (1.00) P2RX3
SCHEMBL11102122 0.72 CNR1 (0.47) P2RX3CNR1CNR2
SCHEMBL996992 0.71 P2RX3 (0.62) P2RX3P2RX2
SCHEMBL996993 0.71 P2RX3 (0.62) P2RX3P2RX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2136639-B1 PYRID-2-YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2016-03-09 EP disclosed
EP-2136639-B1 PYRID-2-YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2016-03-09 EP disclosed
US-8653091-B2 Pyrid-2yl fused heterocyclic compounds, and compositions and uses thereof EVOTEC AG (DE) 2014-02-18 US disclosed
US-8653091-B2 Pyrid-2yl fused heterocyclic compounds, and compositions and uses thereof EVOTEC AG (DE) 2014-02-18 US disclosed
US-8653091-B2 Pyrid-2yl fused heterocyclic compounds, and compositions and uses thereof EVOTEC AG (DE) 2014-02-18 US disclosed
US-20110009432-A1 PYRID-2YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-01-13 US disclosed
US-20110009432-A1 PYRID-2YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-01-13 US disclosed
US-20110009432-A1 PYRID-2YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-01-13 US disclosed
WO-2008123963-A1 PYRID-2-YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-16 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 (1 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-20110009432-A1 PYRID-2YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF IL1B, C5, HTR2C P2RX3 82/4885P2RX2 73/4885CNR1 9/4885

“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.