SCHEMBL5017670

SCHEMBL5017670

Cc1cc(C)n(-c2cc(N)nc(-c3cccnc3)n2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
POLB P06746 1/20 0.53
ADORA2A P29274 2/20 0.47
ADORA1 P30542 1/20 0.47
TSHR P16473 4/20 0.46
HSD17B10 Q99714 2/20 0.46
P4HTM Q9NXG6 1/20 0.46
CCNK O75909 2/20 0.46
CDK12 Q9NYV4 2/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
MAPT P10636 3/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
F2 P00734 1/20 0.40

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
SCHEMBL5022228 0.84 SMN1; SMN2 (0.50) SMN1; SMN2ADORA2AADORA1TSHRHSD17B10
SCHEMBL5017667 0.79 ADORA2A (0.69) ADORA2AADORA1P4HTMCYP1A2CYP3A4
SCHEMBL5022418 0.78 ADORA2A (0.67) SMN1; SMN2POLBADORA2AADORA1HSD17B10
SCHEMBL5016176 0.76 ADORA2A (0.56) ADORA2AADORA1ADORA2BCYP3A4CYP2D6
SCHEMBL30577978 0.76 ADORA2A (0.56) SMN1; SMN2ADORA2AADORA1TSHRHSD17B10
SCHEMBL28636037 0.76 ADORA2A (0.56) SMN1; SMN2ADORA2AADORA1TSHRHSD17B10
SCHEMBL5016337 0.74 SMN1; SMN2 (0.48) SMN1; SMN2POLBADORA2AADORA1TSHR
SCHEMBL1490069 0.73 ADORA2A (0.55) SMN1; SMN2POLBADORA2AADORA1TSHR
SCHEMBL5022943 0.73 ADORA2A (0.52) ADORA2AADORA1ALDH1A1CYP3A4CYP2D6
SCHEMBL5016099 0.73 ADORA2A (0.57) SMN1; SMN2POLBADORA2AADORA1TSHR

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 12 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 claimed
JP-2007514003-A 2007-05-31 JP claimed
CN-1953975-A 2, 6 bisheteroaryl-4-aminopyrimidines as adenosine receptor antagonists ALMIRALL PRODESFARMA AG (CH) 2007-04-25 CN claimed
EP-1697351-A1 2,6-BISHETEROARYL-4-AMINOPYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS Almirall Prodesfarma AG (CH) 2006-09-06 EP claimed
WO-2005058883-A1 2, 6 BISHETEROARYL-4-AMINOPYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL PRODESFARMA AG (CH) 2005-06-30 WO claimed
US-20080058356-A1 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2008-03-06 US disclosed
US-20080058356-A1 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2008-03-06 US disclosed
US-20080058356-A1 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2008-03-06 US disclosed
CN-1953975-A 2, 6 bisheteroaryl-4-aminopyrimidines as adenosine receptor antagonists ALMIRALL PRODESFARMA AG (CH) 2007-04-25 CN 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
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 SMN1; SMN2 662/4885POLB 1317/4885ADORA2A 1/4885

“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.