SCHEMBL3118882

SCHEMBL3118882

CCCCCn1c(=O)n(CCCn2cnc3c(Nc4ccc(Cl)cc4)ncnc32)c(=O)c2[nH]c(Cl)nc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 4/20 0.46
▸ CCNE1 P24864 4/20 0.46
▸ CDK2 P24941 4/20 0.46
▸ ADORA2B P29275 9/20 0.40
▸ ADORA1 P30542 5/20 0.40
▸ ADORA2A P29274 2/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ CTSL P07711 1/20 0.37

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
SCHEMBL13247867 0.85 ADORA2B (0.42) ADORA2BADORA1ADORA2AADORA3CTSL
SCHEMBL13247891 0.83 ADORA2A (0.55) ADORA2BADORA1ADORA2A
SCHEMBL14618922 0.76 ADORA2B (0.44) ADORA2BADORA1ADORA2AADORA3
SCHEMBL13247878 0.74 ADORA2B (0.57) ADORA2BADORA2A
SCHEMBL3115593 0.73 ADORA2B (0.42) ADORA2BADORA1ADORA2AADORA3
SCHEMBL3119443 0.72 SIRT1 (0.54) ADORA2BADORA1ADORA2AADORA3
SCHEMBL13247850 0.71 ADORA1 (0.45) ADORA2BADORA1ADORA2A
SCHEMBL3114003 0.71 ADORA2B (0.44) ADORA2BADORA1ADORA2AADORA3
SCHEMBL13247927 0.71 ADORA2B (0.53) ADORA2BADORA1ADORA2AADORA3
SCHEMBL13247926 0.71 ADORA2B (0.53) ADORA2BADORA1ADORA2AADORA3

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 2 patents. 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
WO-2007017262-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 — — WO 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 PDGFRA 1230/4885CCNE1 4738/4885CDK2 3937/4885

“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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