SCHEMBL14274343

SCHEMBL14274343

C=C1CCC(Nc2nc(-c3cccc(F)c3)nc3[nH]c(C)c(C)c23)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 9/20 0.58
▸ ADORA2A P29274 8/20 0.58
▸ EGFR P00533 2/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ ABL2 P42684 1/20 0.40
▸ MAP4K4 O95819 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ USP2 O75604 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CLK4 Q9HAZ1 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 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
SCHEMBL7744993 0.87 ADORA1 (0.77) ADORA1ADORA2AEGFRABL1ABL2
SCHEMBL14274457 0.78 ADORA1 (0.56) ADORA1ADORA2AMAP4K4IRAK4USP2
SCHEMBL15425807 0.74 ADORA1 (0.81) ADORA1ADORA2AEGFRIRAK4
SCHEMBL4251467 0.73 ABL1 (0.43) ADORA1ADORA2AEGFRABL1ABL2
SCHEMBL22587438 0.73 CYP1A2 (0.47) ADORA1ADORA2AMAP4K4USP2CYP1A2
SCHEMBL29426168 0.73 CYP1A2 (0.47) ADORA1ADORA2AMAP4K4USP2CYP1A2
SCHEMBL15426757 0.71 ADORA1 (0.74) ADORA1ADORA2AEGFRUSP2CYP1A2
SCHEMBL15425800 0.71 ADORA1 (0.74) ADORA1ADORA2AEGFRUSP2CYP1A2
SCHEMBL15426758 0.70 ADORA1 (0.77) ADORA1ADORA2AUSP2
SCHEMBL4251031 0.70 ADORA1 (0.87) ADORA1ADORA2AEGFR

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 1/4885ADORA2A 2/4885EGFR 2055/4885

“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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