SCHEMBL13247879

SCHEMBL13247879

CCCCCn1c(=O)n(CCCn2cc(C#N)c3ccccc32)c(=O)c2[nH]c(Cl)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.42
▸ ADORA2B P29275 4/20 0.42
▸ ADORA1 P30542 2/20 0.42
▸ HTT P42858 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CNR2 P34972 7/20 0.41
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL14619221 0.86 ADORA2B (0.44) ADORA2AADORA2BADORA1CNR2KDM4E
SCHEMBL13247876 0.84 PGR (0.50) ADORA2AADORA2BADORA1CNR2SMN1; SMN2
SCHEMBL13247888 0.78 RAB9A (0.48) ADORA2AADORA2BADORA1HTTMAPT
SCHEMBL13247866 0.77 ADORA2B (0.48) ADORA2AADORA2BADORA1MAPTSMN1; SMN2
SCHEMBL1077430 0.76 MAPT (0.64) HTTMAPTLMNASMN1; SMN2TDP1
SCHEMBL3115593 0.76 ADORA2B (0.42) ADORA2AADORA2BADORA1KDM4EMEN1
SCHEMBL836548 0.76 ADORA2B (0.46) ADORA2BADORA1
SCHEMBL3105542 0.75 ADORA1 (0.49) ADORA2AADORA2BADORA1TSHRKDM4E
SCHEMBL3115718 0.75 ADORA2A (0.55) ADORA2AADORA2BADORA1KDM4EMEN1
SCHEMBL3119443 0.75 SIRT1 (0.54) ADORA2AADORA2BADORA1

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-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 — — 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-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 ADORA2A 17/4885ADORA2B 111/4885ADORA1 32/4885

“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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