SCHEMBL6134772

SCHEMBL6134772

CC(C)n1nc(-c2c(-c3ccccc3)nc(N)nc2-n2ccnc2)ccc1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.38
ADORA1 P30542 10/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 4/20 0.35
NPC1 O15118 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 3/20 0.34
LMNA P02545 3/20 0.34
KMT2A Q03164 3/20 0.34
USP2 O75604 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 4/20 0.33
CYP3A4 P08684 4/20 0.33
CLK4 Q9HAZ1 3/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL6134625 0.83 LMNA (0.44) ADORA2AADORA1TP53LMNAALDH1A1
SCHEMBL5149236 0.83 TSHR (0.35) ADORA2AADORA1MAOAMAOBTP53
SCHEMBL6134544 0.81 ADORA2A (0.46) ADORA2AADORA1TP53
SCHEMBL6133299 0.81 ADORA2A (0.46) ADORA2AADORA1
SCHEMBL6133846 0.80 ADORA2A (0.45) ADORA2AADORA1ALDH1A1
SCHEMBL6134022 0.80 ADORA2A (0.45) ADORA2AADORA1TP53NPC1USP2
SCHEMBL6134523 0.80 ADORA2A (0.45) ADORA2AADORA1TP53
SCHEMBL6133734 0.80 ADORA2A (0.45) ADORA2AADORA1TP53
SCHEMBL6134444 0.79 ADORA2A (0.51) ADORA2AADORA1
SCHEMBL6134441 0.79 ADORA2A (0.37) ADORA2AADORA1TP53HSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ASTELLAS PHARMA INC. (JP) 2005-02-24 US disclosed
WO-2003057689-A1 AMINOPYRIMIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885MAOA 136/4885

“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.