SCHEMBL14274457

SCHEMBL14274457

C=C1CCC(Nc2nc(-c3cccc(F)c3)nc3[nH]ccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 2/20 0.56
▸ ADORA3 P0DMS8 1/20 0.56
▸ ADORA2A P29274 1/20 0.56
▸ ADORA2B P29275 1/20 0.56
▸ PAK4 O96013 4/20 0.54
▸ JAK2 O60674 3/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ ACP1 P24666 3/20 0.39
▸ TP53 P04637 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL14274434 0.87 ADORA1 (0.56) ADORA1ADORA3ADORA2AADORA2BPAK4
SCHEMBL4260180 0.87 ADORA1 (0.75) ADORA1ADORA3ADORA2AADORA2BPAK4
SCHEMBL4260177 0.87 ADORA1 (0.75) ADORA1ADORA3ADORA2AADORA2BPAK4
SCHEMBL14274541 0.87 ADORA1 (0.74) ADORA1ADORA3ADORA2AADORA2BPAK4
SCHEMBL14274343 0.78 ADORA1 (0.58) ADORA1ADORA2AMAP4K4IRAK4TP53
SCHEMBL4422705 0.75 ADORA1 (0.77) ADORA1ADORA3ADORA2AADORA2BPAK4
SCHEMBL4422702 0.75 ADORA1 (0.77) ADORA1ADORA3ADORA2AADORA2BPAK4
SCHEMBL4257018 0.74 ADORA1 (0.75) ADORA1ADORA3ADORA2AADORA2BPAK4
SCHEMBL13649809 0.74 ADORA1 (0.75) ADORA1ADORA3ADORA2AADORA2BPAK4
SCHEMBL4257021 0.74 ADORA1 (0.75) ADORA1ADORA3ADORA2AADORA2BPAK4

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-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2008-03-20 — — 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-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA3 3/4885ADORA2A 2/4885

“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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