SCHEMBL19699057

SCHEMBL19699057

Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccccn2)[C@@H]2CCCN3C2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.39
▸ GRM5 P41594 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ MAP3K12 Q12852 3/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ FGFR4 P22455 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ KARS1 Q15046 1/20 0.35

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
SCHEMBL16775782 0.95 GRM5 (0.39) GRM5DRD2DRD4DRD3CNR2
SCHEMBL17618714 0.90 PRMT5 (0.40) BTKGRM5MAP3K12PIK3CAGSK3B
SCHEMBL17618614 0.90 CNR2 (0.49) BTKGRM5CNR2KMT2A
SCHEMBL16754477 0.90 WNT3A (0.40) BTKGRM5MAP3K12PIK3CAGSK3B
SCHEMBL16776256 0.90 GRM5 (0.40) GRM5DRD2DRD4DRD3CNR2
SCHEMBL19365532 0.90 ABL1 (0.38) BTKGRM5CNR2MAP3K12GSK3B
SCHEMBL17618538 0.90 ABL1 (0.38) BTKGRM5CNR2MAP3K12GSK3B
SCHEMBL17618617 0.90 ABL1 (0.38) BTKGRM5CNR2MAP3K12GSK3B
SCHEMBL19699051 0.89 FAAH (0.39) GRM5TSHRFAAHKMT2A
SCHEMBL17618514 0.88 USP30 (0.45) —

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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 BTK 678/4885GRM5 3471/4885TSHR 3064/4885

“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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