SCHEMBL2849692

SCHEMBL2849692

Clc1ncnc2c1CN(c1ccccn1)CC2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.52
GRIN3B O60391 1/20 0.52
GRIN1 Q05586 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRIN2B Q13224 1/20 0.52
GRIN2C Q14957 1/20 0.52
GRIN3A Q8TCU5 1/20 0.52
P2RX3 P56373 10/20 0.47
MAPK1 P28482 1/20 0.44
PLD1 Q13393 1/20 0.42
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL4870311 0.89 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL997980 0.81 P2RX3 (0.61) P2RX3
SCHEMBL996944 0.80 PIK3CD (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2849660 0.80 TRPV1 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL996761 0.78 P2RX3 (0.62) P2RX3
SCHEMBL14003523 0.76 P2RX3 (0.52) P2RX3
SCHEMBL2853594 0.76 P2RX3 (0.53) P2RX3LMNA
SCHEMBL12973794 0.75 P2RX3 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1050288 0.74 P2RX3 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19042890 0.73 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 7 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-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
EP-1885369-A2 FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2008-02-13 EP disclosed
US-20060258689-A1 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 EVOTEC SE (DE) 2006-11-16 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 (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-20060258689-A1 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 BDNF, OPRL1, GRIN2D GRIN2D 3/4885GRIN3B 53/4885GRIN1 44/4885
US-20100317676-A1 Fused heterocyclic compounds, and compositions and uses thereof OPRL1, OPRK1, IL1B GRIN2D 82/4885GRIN3B 97/4885GRIN1 22/4885

“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.