SCHEMBL20733153

SCHEMBL20733153

O=C(O)c1ccc2c(n1)N(C(O)Nc1ccccn1)[C@H]1CCCN2C1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.36
▸ BTK Q06187 9/20 0.35
▸ DGAT2 Q96PD7 1/20 0.35
▸ MAP3K12 Q12852 1/20 0.35
▸ HCRTR2 O43614 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL22239940 0.84 GPR6 (0.35) MEN1KMT2A
SCHEMBL17769370 0.82 GRM5 (0.42) GRM5BTKDGAT2MAP3K12LCK
SCHEMBL19670500 0.80 MAP4K4 (0.43) BTKDGAT2
SCHEMBL19670351 0.80 MAP4K4 (0.43) BTKDGAT2
SCHEMBL22240211 0.80 ADORA2B (0.34) —
SCHEMBL19706103 0.79 PRKCQ (0.32) BTKDGAT2LCKJAK3
SCHEMBL22240125 0.78 BTK (0.33) BTKJAK3
SCHEMBL22239553 0.77 CNR2 (0.35) BTKMEN1KMT2A
SCHEMBL20733187 0.77 IDH2 (0.41) —
SCHEMBL22239558 0.77 CNR2 (0.35) BTK

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-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — 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-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GRM5 3991/4885BTK 702/4885DGAT2 1326/4885

“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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