SCHEMBL6134404

SCHEMBL6134404

CC(C)n1nc(-c2c(NCc3cccnc3)nc(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
HIF1A Q16665 1/20 0.42
GPR84 Q9NQS5 1/20 0.41
PDE9A O76083 1/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 4/20 0.40
CYP3A4 P08684 4/20 0.40
KMT2A Q03164 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C19 P33261 2/20 0.40
PDE5A O76074 2/20 0.40
CYP2C9 P11712 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL6133703 0.92 GHSR (0.41) ADORA2AADORA1PDE9A
SCHEMBL6133364 0.90 ADORA2A (0.43) ADORA2AADORA1NPR1KLKB1
SCHEMBL6135229 0.86 APP (0.43) ADORA2AADORA1ALDH1A1KMT2AKDM4E
SCHEMBL6133911 0.84 NLRP3 (0.45) ADORA2AADORA1POLB
SCHEMBL6133960 0.84 ADORA2A (0.47) ADORA2AADORA1HIF1AALDH1A1KMT2A
SCHEMBL6134076 0.82 TLR8 (0.42) ADORA2AADORA1
SCHEMBL6134039 0.82 TLR8 (0.42) ADORA2AADORA1POLB
SCHEMBL6134709 0.82 ADORA2A (0.38) ADORA2AADORA1ALDH1A1KMT2AKDM4E
SCHEMBL6134008 0.81 ADORA2A (0.47) ADORA2AADORA1ALDH1A1KMT2APDE5A
SCHEMBL6135237 0.81 ADORA2A (0.42) ADORA2AADORA1POLB

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 1 patent. 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

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 3/4885HIF1A 911/4885

“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.