SCHEMBL6134215

SCHEMBL6134215

COc1ccc(-c2cnc(N)nc2-c2ccccc2Br)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 5/20 0.43
MAPT P10636 6/20 0.42
NPSR1 Q6W5P4 5/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
CDK5 Q00535 2/20 0.41
CDK5R1 Q15078 2/20 0.41
ADORA1 P30542 3/20 0.41
ADORA2A P29274 2/20 0.41
LRRK2 Q5S007 1/20 0.39
FGFR1 P11362 1/20 0.38
MAPK1 P28482 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
MAPK10 P53779 1/20 0.38
PTK2B Q14289 1/20 0.38

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
SCHEMBL6133952 0.86 LRRK2 (0.50) MAPTNPSR1KMT2AADORA1ADORA2A
SCHEMBL6133700 0.86 MAOB (0.43) CLK1MAPTNPSR1KMT2AADORA1
SCHEMBL6133448 0.83 ADORA1 (0.59) KMT2AADORA1ADORA2A
SCHEMBL6134219 0.81 KMT2A (0.53) CLK1MAPTNPSR1KMT2AMEN1
SCHEMBL6134195 0.80 ADORA1 (0.49) CLK1MAPTNPSR1KMT2ACDK5
SCHEMBL6134254 0.80 MAOB (0.46) CLK1MAPTKMT2AADORA1ADORA2A
SCHEMBL6134762 0.79 ADORA1 (0.43) MAPTNPSR1KMT2AADORA1ADORA2A
SCHEMBL6134127 0.78 FGFR1 (0.46) KMT2AMEN1ADORA1ADORA2AFGFR1
SCHEMBL6133568 0.78 ADORA1 (0.41) CLK1MAPTKMT2AKDM4EADORA1
SCHEMBL6134408 0.77 KMT2A (0.55) MAPTKMT2AMEN1ADORA1ADORA2A

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 CLK1 3624/4885MAPT 1622/4885NPSR1 137/4885

“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.