SCHEMBL5378500

SCHEMBL5378500

[CH2]N1CCCC1CNc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.43
CASP1 P29466 1/20 0.43
CASP2 P42575 1/20 0.43
CASP4 P49662 1/20 0.43
CASP7 P55210 1/20 0.43
CASP9 P55211 1/20 0.43
CASP6 P55212 1/20 0.43
CASP8 Q14790 1/20 0.43
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.39
CTSL P07711 2/20 0.39
CTSK P43235 2/20 0.39
ACHE P22303 2/20 0.39
DPP4 P27487 2/20 0.38
KAT2B Q92831 1/20 0.37

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
SCHEMBL18685000 0.80 CASP3 (0.43) CASP3CASP1CASP2CASP4CASP7
SCHEMBL13162978 0.80 KAT2B (0.56) CARM1PRMT6KAT2B
SCHEMBL7106481 0.80 KAT2B (0.56) CARM1PRMT6KAT2B
SCHEMBL4443892 0.80 KAT2B (0.56) CARM1PRMT6KAT2B
SCHEMBL4150800 0.76 CASP3 (0.43) CASP3CASP1CASP2CASP4CASP7
SCHEMBL4150796 0.76 CTSL (0.48) CASP3CASP1CASP2CASP4CASP7
SCHEMBL14626061 0.75 RAB9A (0.51) CARM1PRMT6KMT2ARAB9ASMN1; SMN2
SCHEMBL14591100 0.74 RAB9A (0.47) CASP3CASP1CASP2CASP4CASP7
SCHEMBL8068970 0.71 CCR2 (0.44) RAB9ASMN1; SMN2ACHE
SCHEMBL8068975 0.71 CCR2 (0.44) RAB9ASMN1; SMN2ACHE

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
US-6686366-B1 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. 2004-02-03 US claimed
US-20030139427-A1 Bicyclic pyrimidinyl derivatives and methods of use thereof OSI PHARMACEUTICALS INC. 2003-07-24 US claimed
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 US disclosed
US-6878716-B1 Compounds specific to adenosine A1 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2005-04-12 US disclosed
EP-1347980-A4 COMPOUNDS SPECIFIC TO ADENOSINE-A1,-A2A, AND- A3-RECEPTOR AND USES THEREOF OSI PHARM INC (US) 2005-02-09 EP disclosed
US-6686366-B1 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. 2004-02-03 US disclosed
US-6673802-B2 CARDIOVASCULAR DISORDERS; CENTRAL NERVOUS SYSTEM DISORDERS OSI PHARMACEUTICALS, INC. 2004-01-06 US disclosed
EP-1347980-A1 COMPOUNDS SPECIFIC TO ADENOSINE-A1,-A2A, AND- A3-RECEPTOR AND USES THEREOF OSI Pharmaceuticals, Inc. (US) 2003-10-01 EP disclosed
US-20030139427-A1 Bicyclic pyrimidinyl derivatives and methods of use thereof OSI PHARMACEUTICALS INC. 2003-07-24 US disclosed
EP-1246623-A4 COMPOUNDS SPECIFIC TO ADENOSINE A1, A2A, AND A3 RECEPTOR AND USES THEREOF OSI PHARM INC (US) 2003-05-14 EP disclosed
US-20030073708-A1 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. 2003-04-17 US disclosed
EP-1246623-A1 COMPOUNDS SPECIFIC TO ADENOSINE A1, A2A, AND A3 RECEPTOR AND USES THEREOF OSI Pharmaceuticals, Inc. (US) 2002-10-09 EP disclosed
WO-2002057267-A1 COMPOUNDS SPECIFIC TO ADENOSINE A1, A2A, AND A3 RECEPTOR AND USES THEREOF OSI PHARMACEUTICALS, INC. (US) 2002-07-25 WO disclosed
US-20020094974-A1 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. 2002-07-18 US disclosed
WO-2001039777-A1 COMPOUNDS SPECIFIC TO ADENOSINE A1 A2A, AND A3 RECEPTORS AND USES THEREOF OSI PHARMACEUTICALS, INC. (US) 2001-06-07 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 (3 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-20030073708-A1 Compounds specific to adenosine A3 receptor and uses thereof ADORA3, ADORA2A, ADORA1 CASP3 1681/4885CASP1 3358/4885CASP2 3377/4885
US-20030139427-A1 Bicyclic pyrimidinyl derivatives and methods of use thereof ADORA2A, ADORA3, ADORA1 CASP3 2416/4885CASP1 2697/4885CASP2 3138/4885
US-20020094974-A1 Compounds specific to adenosine A3 receptor and uses thereof ADORA3, ADORA2A, ADORA1 CASP3 1681/4885CASP1 3358/4885CASP2 3377/4885

“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.