SCHEMBL6134829

SCHEMBL6134829

COc1ccc(-c2nc(N)ncc2-c2ccc(=O)n(C)n2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ADORA2A P29274 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
TLR7 Q9NYK1 8/20 0.42
TLR9 Q9NR96 7/20 0.42
TLR8 Q9NR97 7/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RPS6KA3 P51812 1/20 0.41
MAPK1 P28482 2/20 0.40
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR3 P22607 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL6133388 0.91 ADORA1 (0.57) ADORA1KDM4EADORA2AKMT2AMAPK1
SCHEMBL6134037 0.88 RPS6KA3 (0.45) ADORA1ALDH1A1ADORA2AHRH3TLR7
SCHEMBL6134870 0.87 ADORA1 (0.43) ADORA1ALDH1A1KDM4EADORA2AKMT2A
SCHEMBL6134316 0.86 HRH3 (0.43) ALDH1A1KDM4EHRH3KMT2AMEN1
SCHEMBL6133989 0.83 KMT2A (0.62) ADORA1ALDH1A1KDM4EADORA2AHRH3
SCHEMBL6133447 0.81 ADORA2A (0.60) ADORA1ADORA2AHRH3KMT2ANPC1
SCHEMBL6134194 0.81 ADORA1 (0.43) ADORA1ALDH1A1ADORA2A
SCHEMBL6133660 0.80 PDE4A (0.49) ADORA1ALDH1A1KDM4EADORA2AKMT2A
SCHEMBL6134043 0.80 ADORA1 (0.53) ADORA1ADORA2AHRH3KMT2ANPC1
SCHEMBL6134177 0.80 ADORA1 (0.50) ADORA1ALDH1A1KDM4EADORA2ATLR7

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 3/4885ALDH1A1 801/4885KDM4E 3364/4885

“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.