SCHEMBL5016304

SCHEMBL5016304

CC(C(=O)Nc1cc(-c2ccccn2)nc(-c2cccs2)n1)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.55
ADORA1 P30542 5/20 0.55
ADORA3 P0DMS8 6/20 0.49
POLB P06746 1/20 0.44
HPGDS O60760 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
PRNP P04156 1/20 0.38
CSF1R P07333 1/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL5017763 0.87 ADORA2A (0.46) ADORA2AADORA1ADORA3POLBSMN1; SMN2
SCHEMBL5026267 0.87 ADORA2A (0.49) ADORA2AADORA1ADORA3POLBHPGDS
SCHEMBL5016204 0.81 ADORA3 (0.48) ADORA2AADORA1ADORA3POLBALDH1A1
SCHEMBL5022258 0.81 POLB (0.43) ADORA2AADORA1ADORA3POLBLMNA
SCHEMBL5025053 0.79 ADORA2A (0.44) ADORA2AADORA1ADORA3LMNARAB9A
SCHEMBL5016157 0.79 ADORA2A (0.61) ADORA2AADORA1ADORA3POLBSMN1; SMN2
SCHEMBL5017884 0.78 ADORA2A (0.43) ADORA2AADORA1ADORA3
SCHEMBL5024977 0.78 ADORA2A (0.43) ADORA2AADORA1POLBHPGD
SCHEMBL5022278 0.75 ADORA2A (0.69) ADORA2AADORA1ADORA3POLBSMN1; SMN2
SCHEMBL1489618 0.75 ADORA2A (0.69) ADORA2AADORA1ADORA3POLBSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058356-A1 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2008-03-06 US disclosed
EP-1697351-A1 2,6-BISHETEROARYL-4-AMINOPYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS Almirall Prodesfarma AG (CH) 2006-09-06 EP disclosed
WO-2005058883-A1 2, 6 BISHETEROARYL-4-AMINOPYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL PRODESFARMA AG (CH) 2005-06-30 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-20080058356-A1 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA3 2/4885

“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.