SCHEMBL6133909

SCHEMBL6133909

COc1ccc(-c2cnc(N)nc2-c2ccc(OC)c(OC)c2)nn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.62
ADORA2A P29274 2/20 0.50
KMT2A Q03164 2/20 0.48
DHFR P00374 2/20 0.47
MAPT P10636 3/20 0.44
FGFR1 P11362 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
KDR P35968 1/20 0.43
JAK3 P52333 1/20 0.43
AURKB Q96GD4 1/20 0.43
HTT P42858 2/20 0.42
ATM Q13315 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPK1 P28482 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
MAPK10 P53779 1/20 0.42
PTK2B Q14289 1/20 0.42

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
SCHEMBL6134177 0.90 ADORA1 (0.50) ADORA1ADORA2AKMT2ADHFRMAPT
SCHEMBL6133571 0.85 ADORA1 (0.56) ADORA1ADORA2AKMT2ADHFRMAPT
SCHEMBL6133429 0.84 KMT2A (0.47) ADORA1ADORA2AKMT2ADHFRMAPT
SCHEMBL6133624 0.84 KMT2A (0.70) ADORA1ADORA2AKMT2AMAPTHTT
SCHEMBL6134408 0.84 KMT2A (0.55) ADORA1ADORA2AKMT2ADHFRMAPT
SCHEMBL6135107 0.82 KMT2A (0.53) ADORA1ADORA2AKMT2AMAPTHTT
SCHEMBL6134219 0.82 KMT2A (0.53) ADORA1ADORA2AKMT2ADHFRMAPT
SCHEMBL6133448 0.82 ADORA1 (0.59) ADORA1ADORA2AKMT2A
SCHEMBL6134101 0.82 ADORA1 (0.66) ADORA1ADORA2AKMT2AMAPTFGFR1
SCHEMBL6134097 0.82 ADORA1 (0.60) ADORA1ADORA2AKMT2AKDRLMNA

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 ADORA1 3/4885ADORA2A 2/4885KMT2A 1769/4885

“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.