SCHEMBL8253113

SCHEMBL8253113

CCc1ccc(CNc2ncnc3c2CN(c2ccc(C)cn2)CC3)cc1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 20/20 0.73
P2RX2 Q9UBL9 2/20 0.58

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
SCHEMBL2850839 0.95 P2RX3 (0.66) P2RX3P2RX2
SCHEMBL12973665 0.91 P2RX3 (0.68) P2RX3P2RX2
SCHEMBL2848567 0.91 P2RX3 (0.68) P2RX3P2RX2
SCHEMBL8251923 0.91 P2RX3 (0.67) P2RX3
SCHEMBL4351809 0.90 P2RX3 (0.70) P2RX3
SCHEMBL12973661 0.90 P2RX3 (0.68) P2RX3
SCHEMBL2850994 0.89 P2RX3 (0.69) P2RX3P2RX2
SCHEMBL12973570 0.89 P2RX3 (0.69) P2RX3
SCHEMBL12973560 0.89 P2RX3 (0.59) P2RX3
SCHEMBL12952315 0.89 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885369-B1 FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2015-09-23 EP disclosed
US-8859545-B2 Tetrahydronaphthyridine and tetrahydropyrido[4,3-D]pyrimidine compounds and compositions thereof useful for the treatment of inflammatory and respiratory diseases EVOTEC AG (DE) 2014-10-14 US disclosed
US-8859545-B2 Tetrahydronaphthyridine and tetrahydropyrido[4,3-D]pyrimidine compounds and compositions thereof useful for the treatment of inflammatory and respiratory diseases EVOTEC AG (DE) 2014-10-14 US disclosed
US-20100317676-A1 Fused heterocyclic compounds, and compositions and uses thereof RENOVIS, INC. 2010-12-16 US disclosed
US-20100317676-A1 Fused heterocyclic compounds, and compositions and uses thereof RENOVIS, INC. 2010-12-16 US disclosed
US-7745451-B2 2,3-Difluoro-benzyl)-[6-(5-methyl-pyridin-2-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-yl]-amine, useful for the prevention and treatment of pain, inflammation, cognitive disorders, anxiety and depression in humans RENOVIS, INC. (US) 2010-06-29 US disclosed
US-7745451-B2 2,3-Difluoro-benzyl)-[6-(5-methyl-pyridin-2-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-yl]-amine, useful for the prevention and treatment of pain, inflammation, cognitive disorders, anxiety and depression in humans RENOVIS, INC. (US) 2010-06-29 US disclosed
WO-2006119504-A2 FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2006-11-09 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-20100317676-A1 Fused heterocyclic compounds, and compositions and uses thereof OPRL1, OPRK1, IL1B P2RX3 281/4885P2RX2 327/4885

“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.