SCHEMBL2847632

SCHEMBL2847632

FC(F)Oc1ccccc1Nc1ncnc2c1CNCC2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.42
LRRK2 Q5S007 1/20 0.39
MKNK2 Q9HBH9 2/20 0.39
MKNK1 Q9BUB5 1/20 0.39
HTR6 P50406 1/20 0.35
EGFR P00533 2/20 0.34
HTT P42858 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 1/20 0.33
PRMT5 O14744 1/20 0.33
LMNA P02545 1/20 0.33
MAPK3 P27361 1/20 0.33
BACE1 P56817 1/20 0.32

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
SCHEMBL2847629 0.79 MET (0.39) HTR6SMN1; SMN2KMT2A
SCHEMBL2854741 0.75 EGFR (0.46) LRRK2MKNK2HTR6EGFRHTT
SCHEMBL2846233 0.73 MKNK1 (0.45) MKNK1EGFRHTTGAAMAPK1
SCHEMBL2848817 0.71 TRPV1 (0.52) LRRK2LMNA
SCHEMBL4921437 0.70 ULK1 (0.46) ULK1LRRK2MKNK2EGFRHTT
SCHEMBL4863642 0.70 KDR (0.41) MKNK1SMN1; SMN2KMT2A
SCHEMBL4921445 0.69 MKNK1 (0.53) ULK1MKNK1HTTSMN1; SMN2HPGD
SCHEMBL28396677 0.68 GPR119 (0.42) MKNK2MKNK1EGFR
SCHEMBL12994816 0.68 TRPV1 (0.38) HTR6EGFR
SCHEMBL12995088 0.68 TTBK1 (0.46) MKNK2MKNK1EGFRHTTSMN1; SMN2

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 ULK1 3323/4885LRRK2 284/4885MKNK2 3141/4885
US-20100317676-A1 Fused heterocyclic compounds, and compositions and uses thereof OPRL1, OPRK1, IL1B ULK1 2098/4885LRRK2 466/4885MKNK2 3106/4885

“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.