SCHEMBL7250401

SCHEMBL7250401

CC(=O)N(CCNc1nc(-c2ccccc2)nc2[nH]c(COC3CCN(CCc4cccc(Cl)c4)CC3)cc12)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
CARM1 Q86X55 2/20 0.41
PRMT6 Q96LA8 2/20 0.41
BCHE P06276 1/20 0.39
OPRM1 P35372 1/20 0.39
CCR5 P51681 4/20 0.38
ACHE P22303 4/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
PRMT3 O60678 1/20 0.37
PRMT8 Q9NR22 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PTGIR P43119 2/20 0.36
PDE5A O76074 1/20 0.35

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
SCHEMBL3254487 0.89 ADORA2B (0.55) ADORA2BADORA3ADORA2AADORA1CARM1
SCHEMBL3250957 0.82 ADORA2B (0.62) ADORA2BADORA3ADORA2AADORA1CARM1
SCHEMBL3255096 0.82 ADORA2B (0.51) ADORA2BADORA3ADORA2AADORA1CARM1
SCHEMBL3249595 0.82 ADORA2B (0.56) ADORA2BADORA3ADORA2AADORA1CARM1
SCHEMBL3242000 0.80 ADORA2B (0.55) ADORA2BADORA3ADORA2AADORA1OPRM1
SCHEMBL3249213 0.78 ADORA2B (0.57) ADORA2BADORA3ADORA2AADORA1CARM1
SCHEMBL3250172 0.78 ADORA2B (0.54) ADORA2BADORA3ADORA2AADORA1CARM1
SCHEMBL3254548 0.78 PDE10A (0.47) ADORA2BADORA3ADORA2AADORA1CARM1
SCHEMBL3253652 0.78 ADORA2B (0.69) ADORA2BADORA3ADORA2AADORA1CARM1
SCHEMBL3255352 0.78 ADORA2B (0.56) ADORA2BADORA3ADORA2AADORA1ACHE

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-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2003-12-11 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-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, OXER1, CNR1 ADORA2B 1/4885ADORA3 26/4885ADORA2A 16/4885

“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.