SCHEMBL7158063

SCHEMBL7158063

CC(=O)NCCNc1cc(N(C(=O)CN2CCN(CCc3ccccc3)CC2)c2ccccc2)nc(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 3/20 0.48
▸ ADORA2A P29274 2/20 0.48
▸ ADORA1 P30542 2/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ OPRD1 P41143 7/20 0.46
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ HBB P68871 1/20 0.38

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
SCHEMBL3165191 0.83 ADORA2A (0.51) ADORA2BADORA2AADORA1ADORA3OPRD1
SCHEMBL3156040 0.81 ADORA2A (0.49) ADORA2BADORA2AADORA1ADORA3OPRD1
SCHEMBL7156885 0.80 EPHX2 (0.37) OPRD1KDM4EALDH1A1LMNATP53
SCHEMBL3170151 0.78 ADORA2B (0.56) ADORA2BADORA2AADORA1ADORA3OPRD1
SCHEMBL3162838 0.78 ADORA3 (0.58) ADORA2BADORA2AADORA1ADORA3HTR2A
SCHEMBL7157024 0.76 ADORA2B (0.40) ADORA2BADORA2AADORA1ADORA3KDM4E
SCHEMBL3162725 0.75 ADORA2B (0.53) ADORA2BADORA2AADORA1ADORA3OPRD1
SCHEMBL3163746 0.74 ALDH1A1 (0.50) ADORA2BADORA2AADORA1ADORA3ALDH1A1
SCHEMBL3169937 0.74 ALDH1A1 (0.48) ADORA2BADORA2AADORA1ADORA3ALDH1A1
SCHEMBL6234069 0.74 ADORA2B (0.40) ADORA2BADORA2AADORA1ADORA3KDM4E

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-20030162764-A1 Pyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2003-08-28 — — 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-20030162764-A1 Pyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA2A 2/4885ADORA1 4/4885

“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.

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