SCHEMBL5675162

SCHEMBL5675162

NC(=O)C1CCCN1c1nc(-c2ccncc2)nc2[nH]c(-c3ccccc3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 2/20 0.44
ELANE P08246 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
CSF1R P07333 1/20 0.43
KIT P10721 3/20 0.42
HPGD P15428 1/20 0.42
HIF1A Q16665 1/20 0.42
HRH4 Q9H3N8 3/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL5675151 0.88 CDC7 (0.45) KITCDC7FPR2SCN9A
SCHEMBL7749780 0.84 MAT2A (0.47) MAT2AELANETSHRPOLBPIM1
SCHEMBL4077720 0.84 MAT2A (0.47) MAT2AELANETSHRPOLBPIM1
SCHEMBL4078297 0.84 MAT2A (0.47) MAT2AELANEALDH1A1MAPTTSHR
SCHEMBL4084126 0.84 MAT2A (0.47) MAT2AELANEALDH1A1MAPTTSHR
SCHEMBL7751006 0.83 MAT2A (0.46) MAT2AELANETSHRHPGDPOLB
SCHEMBL4249474 0.80 MAT2A (0.44) MAT2AELANETSHRPOLBFPR2
SCHEMBL4249465 0.80 MAT2A (0.44) MAT2AELANETSHRPOLBFPR2
SCHEMBL4083747 0.80 ELANE (0.51) MAT2AELANETSHRKITPOLB
SCHEMBL4083507 0.80 MAT2A (0.43) MAT2AELANEMAPTTSHRPOLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1731520-A1 Pyrrolo[2,3-d]pyrimidine derivatives which are antagonists of adenosine A1, A2A, and A3 OSI Pharmaceuticals, Inc. (US) 2006-12-13 EP 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-6664252-B2 (6-aryl-pyrrolo(2,3-d)pyrimidin-4-yl)amine derivatives; treating Parkinson's disease and diseases associated with locomotor activity, vasodilation, platelet inhibition, neutrophil superoxide generation, cognitive disorders, etc. OSI PHARMACEUTICALS, INC. 2003-12-16 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-20030036545-A1 Compounds specific to adenosine A2a receptor and uses thereof OSI PHARMACEUTICALS, INC. 2003-02-20 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20030036545-A1 Compounds specific to adenosine A2a receptor and uses thereof ADORA2A, ADORA2B, ADORA3 MAT2A 232/4885ELANE 2284/4885ALDH1A1 862/4885

“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.