SCHEMBL6134060

SCHEMBL6134060

CC(C)n1nc(-c2cnc(N)nc2-c2ccsc2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.38
BMPR1B O00238 1/20 0.37
BMPR1A P36894 1/20 0.37
TGFBR1 P36897 1/20 0.37
ACVRL1 P37023 1/20 0.37
ACVR1 Q04771 1/20 0.37
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
ADORA2A P29274 3/20 0.35
ADORA1 P30542 3/20 0.35
ADORA2B P29275 1/20 0.35
FGFR1 P11362 2/20 0.34
FGFR2 P21802 2/20 0.34
FGFR3 P22607 2/20 0.34
ADK P55263 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
KMT2A Q03164 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL6133399 0.85 ADORA1 (0.49) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL6134665 0.85 ADORA1 (0.39) POLBRAB9ARXFP1KDM5BADORA2A
SCHEMBL6134324 0.84 ADORA1 (0.47) ADORA2AADORA1ADORA2BKMT2A
SCHEMBL6134159 0.83 RPS6KA3 (0.46) RETBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL6133581 0.83 ADORA1 (0.49) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL6134188 0.82 LMNA (0.45) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL6134450 0.82 ADORA1 (0.50) RETBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL6133386 0.82 KMT2A (0.40) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL6133788 0.82 ADORA1 (0.39) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL6133771 0.80 ADORA1 (0.44) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1

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 1 patent. 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

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 RET 3613/4885BMPR1B 3553/4885BMPR1A 3787/4885

“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.