SCHEMBL19706271

SCHEMBL19706271

O=C(Nc1cncc(F)c1)N1c2nc(-c3cccc(Cl)c3)ccc2C2C[C@@H](O)C21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.36
▸ BRAF P15056 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ KDM1A O60341 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ TRPV3 Q8NET8 1/20 0.34
▸ GRM5 P41594 4/20 0.34
▸ ABL1 P00519 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL19706246 0.90 BRAF (0.37) CNR2BRAFTSHRKDM1AMAOB
SCHEMBL19706127 0.88 TSHR (0.47) CNR2TSHRGRM5ABL1TP53
SCHEMBL19365548 0.84 TRPV3 (0.37) KDM1ATRPV3ABL1CLK2
SCHEMBL19706131 0.82 POLB (0.42) CNR2BRAFTSHRFAAHKDM1A
SCHEMBL19706147 0.82 BRAF (0.44) CNR2BRAFFAAHKDM1AFYN
SCHEMBL19670657 0.80 MPL (0.42) CNR2FAAHKDM1AMAOBGRM5
SCHEMBL17618825 0.80 ABL1 (0.35) CNR2BRAFTSHRFAAHFYN
SCHEMBL19670539 0.78 BRAF (0.37) CNR2BRAFKDM1AMAOBCNR1
SCHEMBL16776248 0.78 GRM5 (0.38) CNR2TSHRFAAHCNR1GRM5
SCHEMBL19706123 0.78 ABL1 (0.39) CNR2FYNGRM5ABL1POLB

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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
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 (2 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 CNR2 2514/4885BRAF 3419/4885TSHR 3064/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CNR2 2514/4885BRAF 3419/4885TSHR 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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