SCHEMBL16775870

SCHEMBL16775870

Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2cncc(OCC(O)CO)n2)CCCN3)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 6/20 0.39
▸ RPS6KA2 Q15349 1/20 0.35
▸ CA9 Q16790 1/20 0.33
▸ KMO O15229 1/20 0.33
▸ RPS6KA3 P51812 2/20 0.32
▸ ADORA3 P0DMS8 3/20 0.32
▸ ADORA2A P29274 3/20 0.32
▸ ADORA1 P30542 1/20 0.31
▸ PRMT5 O14744 1/20 0.31
▸ WDR77 Q9BQA1 1/20 0.31
▸ CCNT1 O60563 1/20 0.31
▸ CDK9 P50750 1/20 0.31

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
SCHEMBL16775873 0.87 CA9 (0.39) RPS6KA2CA9KMORPS6KA3ADORA3
SCHEMBL16785561 0.81 FGFR4 (0.36) CA9KMOPRMT5WDR77
SCHEMBL16775872 0.80 PIK3CA (0.33) KMORPS6KA3CCNT1CDK9
SCHEMBL16775871 0.80 EGFR (0.33) RPS6KA2KMORPS6KA3
SCHEMBL16775917 0.80 GRM5 (0.40) GRM5RPS6KA2KMOADORA3ADORA1
SCHEMBL16775921 0.79 FGFR4 (0.37) RPS6KA2CA9KMOADORA3ADORA2A
SCHEMBL19865037 0.79 GRM5 (0.36) GRM5
SCHEMBL16776109 0.79 KARS1 (0.38) GRM5ADORA3ADORA1
SCHEMBL16775880 0.79 RPS6KA3 (0.35) RPS6KA2KMORPS6KA3CDK9
SCHEMBL16776022 0.79 RPS6KA2 (0.41) RPS6KA2CA9KMOADORA3ADORA2A

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GRM5 3471/4885RPS6KA2 2318/4885CA9 4248/4885

“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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