SCHEMBL2846233

SCHEMBL2846233

Fc1ccc(Nc2ncnc3c2CNCC3)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.45
HTR2A P28223 6/20 0.45
HTR2C P28335 6/20 0.45
FGFR1 P11362 1/20 0.44
RAF1 P04049 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
EGFR P00533 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP11B2 P19099 2/20 0.41
CYP11B1 P15538 1/20 0.41
TRPV1 Q8NER1 2/20 0.40
TTBK1 Q5TCY1 2/20 0.40
TTBK2 Q6IQ55 2/20 0.40
HTR2B P41595 4/20 0.40
TDP1 Q9NUW8 1/20 0.39
AURKA O14965 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
SCHEMBL4871886 0.89 HTR2A (0.47) MKNK1HTR2AHTR2CFGFR1RAF1
SCHEMBL12994816 0.86 TRPV1 (0.38) HTR2AHTR2CEGFRTRPV1HTR2B
SCHEMBL12995088 0.86 TTBK1 (0.46) MKNK1FGFR1RAF1GAAMAPT
SCHEMBL2854741 0.86 EGFR (0.46) HTR2AHTR2CMAPK1HTTEGFR
SCHEMBL2846226 0.85 TRPV1 (0.57) EGFRTRPV1TTBK1
SCHEMBL8251107 0.83 TRPV1 (0.52) EGFRTRPV1
SCHEMBL2847629 0.82 MET (0.39) HTR2AHTR2CMAPTMEN1KMT2A
SCHEMBL2847817 0.82 APP (0.41) TRPV1
SCHEMBL2847382 0.80 PIP4K2A (0.50) TRPV1
SCHEMBL2847843 0.80 TRPV1 (0.40) HTR2AHTR2CEGFRTRPV1HTR2B

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 15 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
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-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-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
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
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 MKNK1 3465/4885HTR2A 33/4885HTR2C 8/4885
US-20100317676-A1 Fused heterocyclic compounds, and compositions and uses thereof OPRL1, OPRK1, IL1B MKNK1 3334/4885HTR2A 107/4885HTR2C 57/4885

“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.