SCHEMBL5017665

SCHEMBL5017665

Nc1cc(-c2ccccn2)nc(S)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.50
LMNA P02545 4/20 0.50
CCR1 P32246 3/20 0.50
CCR5 P51681 3/20 0.50
CCR8 P51685 3/20 0.50
POLB P06746 2/20 0.50
CYP1A2 P05177 2/20 0.50
METAP1 P53582 1/20 0.50
BLM P54132 1/20 0.50
HIF1A Q16665 1/20 0.50
DOHH Q9BU89 1/20 0.50
P4HTM Q9NXG6 1/20 0.50
SMN1; SMN2 Q16637 6/20 0.48
TP53 P04637 6/20 0.48
L3MBTL1 Q9Y468 5/20 0.48
ALOX15 P16050 3/20 0.48
HTT P42858 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALPL P05186 1/20 0.48
HSP90AA1 P07900 1/20 0.48

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
SCHEMBL30835039 0.81 KDM4E (0.63) KDM4ELMNACCR1CCR5CCR8
SCHEMBL17022069 0.80 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL22357053 0.79 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL13982039 0.79 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL901815 0.78 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL19054764 0.77 MEN1 (0.57) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29563296 0.75 CCR1 (0.64) KDM4ELMNACCR1CCR5CCR8
SCHEMBL15048691 0.75 CCR1 (0.64) KDM4ELMNACCR1CCR5CCR8
SCHEMBL198150 0.75 CCR1 (0.64) KDM4ELMNACCR1CCR5CCR8
SCHEMBL12436463 0.75 KDM4E (0.64) KDM4ELMNACCR1CCR5CCR8

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 4 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
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

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 KDM4E 3504/4885LMNA 4748/4885CCR1 2756/4885

“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.