SCHEMBL6134625

SCHEMBL6134625

CC(C)n1nc(-c2c(-c3ccccc3)nc(N)nc2-n2cncn2)ccc1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
ADORA2A P29274 14/20 0.39
ADORA1 P30542 13/20 0.39
POLB P06746 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 1/20 0.33
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

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
SCHEMBL5149138 0.84 LMNA (0.39) LMNAADORA2APOLBALDH1A1TP53
SCHEMBL6134772 0.83 ADORA2A (0.38) LMNAADORA2AADORA1ALDH1A1TP53
SCHEMBL6134544 0.82 ADORA2A (0.46) ADORA2AADORA1TP53
SCHEMBL6133299 0.82 ADORA2A (0.46) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL6133846 0.81 ADORA2A (0.45) ADORA2AADORA1ALDH1A1ADORA3ADORA2B
SCHEMBL6133734 0.81 ADORA2A (0.45) ADORA2AADORA1TP53ADORA2B
SCHEMBL6134523 0.81 ADORA2A (0.45) ADORA2AADORA1POLBTP53KDM4E
SCHEMBL6134022 0.81 ADORA2A (0.45) ADORA2AADORA1POLBTP53
SCHEMBL6134444 0.80 ADORA2A (0.51) ADORA2AADORA1
SCHEMBL6134441 0.80 ADORA2A (0.37) ADORA2AADORA1ALDH1A1TP53KDM4E

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 LMNA 3549/4885ADORA2A 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.