SCHEMBL6133700

SCHEMBL6133700

COc1ccc(-c2cnc(N)nc2-c2ccccc2C)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.43
ADORA2A P29274 3/20 0.42
ADORA1 P30542 4/20 0.41
LCK P06239 1/20 0.41
KDR P35968 1/20 0.41
JAK3 P52333 1/20 0.41
MAPK14 Q16539 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.40
LRRK2 Q5S007 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FGFR1 P11362 1/20 0.39
MAPT P10636 3/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
MAPK10 P53779 1/20 0.38
PTK2B Q14289 1/20 0.38
NCOA1 Q15788 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
SCHEMBL6134254 0.88 MAOB (0.46) MAOBADORA2AADORA1KMT2ALMNA
SCHEMBL6133952 0.87 LRRK2 (0.50) ADORA2AADORA1KMT2ALMNALRRK2
SCHEMBL6134215 0.86 CLK1 (0.43) ADORA2AADORA1KMT2ALMNALRRK2
SCHEMBL6133448 0.84 ADORA1 (0.59) ADORA2AADORA1KMT2A
SCHEMBL6134408 0.81 KMT2A (0.55) MAOBADORA2AADORA1KMT2ALMNA
SCHEMBL6134762 0.80 ADORA1 (0.43) MAOBADORA2AADORA1KMT2ALMNA
SCHEMBL6134097 0.79 ADORA1 (0.60) MAOBADORA2AADORA1KDRKMT2A
SCHEMBL6134127 0.79 FGFR1 (0.46) ADORA2AADORA1KMT2AFGFR1MAPK1
SCHEMBL6133568 0.79 ADORA1 (0.41) MAOBADORA2AADORA1KMT2ALMNA
SCHEMBL6133624 0.78 KMT2A (0.70) MAOBADORA2AADORA1KMT2ALMNA

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 MAOB 56/4885ADORA2A 2/4885ADORA1 3/4885

“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.