SCHEMBL2845220

SCHEMBL2845220

c1ccc(CC2Cc3c(ncnc3Nc3ccc4c(c3)OCCO4)CN2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HIF1A Q16665 1/20 0.40
EGFR P00533 3/20 0.39
ABL1 P00519 2/20 0.39
PDGFRB P09619 2/20 0.39
FGFR1 P11362 2/20 0.39
SRC P12931 2/20 0.39
KDM1A O60341 1/20 0.39
ADK P55263 1/20 0.39
HTT P42858 1/20 0.39
CLK1 P49759 1/20 0.38
RHOA P61586 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL4872580 0.73 MAPT (0.46) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL8249711 0.72 MAPT (0.53) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4864825 0.72 MAPT (0.51) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2844985 0.71 MEN1 (0.38) MEN1KMT2A
SCHEMBL2851197 0.71 MAPT (0.46) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL18292491 0.67 MAPT (0.64) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL4863658 0.64 FAAH (0.41) MEN1KMT2ARAB9A
SCHEMBL11058822 0.64 MEN1 (0.49) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL7490319 0.64 SRC (0.37) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL657416 0.63 KDM1A (0.62) MEN1KMT2AMAPTALDH1A1NPC1

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 MEN1 4034/4885KMT2A 1221/4885MAPT 802/4885
US-20100317676-A1 Fused heterocyclic compounds, and compositions and uses thereof OPRL1, OPRK1, IL1B MEN1 2635/4885KMT2A 2859/4885MAPT 970/4885

“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.