SCHEMBL6133771

SCHEMBL6133771

CC(C)n1nc(-c2cnc(N)nc2-c2nccs2)ccc1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 10/20 0.44
ADORA2A P29274 9/20 0.44
ADORA2B P29275 4/20 0.40
HSP90AA1 P07900 1/20 0.39
ADORA3 P0DMS8 2/20 0.34
BMPR1B O00238 1/20 0.33
BMPR1A P36894 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33
LMNA P02545 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 2/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKMYT1 Q99640 1/20 0.31

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
SCHEMBL6133647 0.83 ADORA2A (0.43) ADORA1ADORA2AADORA2BSMN1; SMN2HPGD
SCHEMBL6133399 0.81 ADORA1 (0.49) ADORA1ADORA2AADORA2BBMPR1BBMPR1A
SCHEMBL6134060 0.80 RET (0.38) ADORA1ADORA2AADORA2BBMPR1BBMPR1A
SCHEMBL6134324 0.80 ADORA1 (0.47) ADORA1ADORA2AADORA2B
SCHEMBL6134198 0.79 FGFR1 (0.39) ADORA1ADORA2AADORA2BBMPR1BBMPR1A
SCHEMBL6134159 0.79 RPS6KA3 (0.46) ADORA1ADORA2AADORA2BBMPR1BBMPR1A
SCHEMBL6133581 0.79 ADORA1 (0.49) ADORA1ADORA2AADORA2BBMPR1BBMPR1A
SCHEMBL6134103 0.78 PIK3CD (0.46) ADORA1ADORA2AADORA2BHSP90AA1BMPR1B
SCHEMBL6134188 0.78 LMNA (0.45) ADORA1ADORA2AADORA2BBMPR1BBMPR1A
SCHEMBL6133386 0.78 KMT2A (0.40) ADORA1ADORA2AADORA2BBMPR1BBMPR1A

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 2/4885ADORA2B 1/4885

“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.