SCHEMBL16775859

SCHEMBL16775859

Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccnc(OCC(O)CO)n2)[C@H](C)CCN3)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA2 Q15349 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ EGFR P00533 1/20 0.32
▸ KMO O15229 1/20 0.32
▸ IDE P14735 2/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ADORA2A P29274 3/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ MAPK3 P27361 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ VCP P55072 2/20 0.30
▸ RAF1 P04049 2/20 0.30
▸ ADORA3 P0DMS8 2/20 0.30

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
SCHEMBL16785565 0.90 RAF1 (0.35) CA9KMOADORA2ACCNA2CDK2
SCHEMBL16775858 0.90 RPS6KA2 (0.36) RPS6KA2CA9EGFRKMOADORA2A
SCHEMBL16775861 0.85 VCP (0.36) RPS6KA2CA9EGFRKMOADORA2A
SCHEMBL16785650 0.81 RAF1 (0.37) CA9KMOADORA2ACCNA2CDK2
SCHEMBL16775985 0.79 GRM5 (0.38) KMT2AADORA2AMAPK1
SCHEMBL16776474 0.79 FAAH (0.39) RPS6KA2CA9KMOADORA2AVCP
SCHEMBL16775872 0.78 PIK3CA (0.33) PIK3CAEGFRKMO
SCHEMBL19670575 0.78 EGFR (0.32) PIK3CAEGFRKMOADORA2ACCNA2
SCHEMBL16775987 0.77 KARS1 (0.36) —
SCHEMBL16776124 0.76 CNR2 (0.38) RPS6KA2EGFRKMOKMT2AVCP

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 RPS6KA2 2318/4885CA9 4248/4885PIK3CA 3691/4885

“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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