SCHEMBL19364921

SCHEMBL19364921

CCN1CCCN(C(=O)Nc2cccc(C3(C(F)(F)F)N=N3)c2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF18A Q8NI77 1/20 0.38
▸ RAF1 P04049 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ CHRM4 P08173 1/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ P2RX1 P51575 1/20 0.35
▸ UBE2M P61081 1/20 0.35
▸ DCUN1D1 Q96GG9 1/20 0.35
▸ GRIN2B Q13224 2/20 0.35
▸ RIPK1 Q13546 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
SCHEMBL17623988 0.90 NPC1 (0.37) RAF1BRAFCHRM4CHRM5CHRM1
SCHEMBL16776084 0.89 GRIN2B (0.38) KIF18AFYNCA2CA9MAPT
SCHEMBL19365749 0.86 CA2 (0.42) RAF1BRAFCHRM4CHRM5CHRM1
SCHEMBL19670249 0.84 CA2 (0.42) RAF1BRAFCHRM4CHRM5CHRM1
SCHEMBL19670123 0.83 TRPA1 (0.37) RAF1BRAFCHRM4CHRM5CHRM1
SCHEMBL16776069 0.82 CA2 (0.39) KIF18ARAF1BRAFFYNCA2
SCHEMBL19365694 0.82 CHRM3 (0.45) BRAFCHRM3MAPTMEN1KMT2A
SCHEMBL19365407 0.81 MEN1 (0.49) MEN1KMT2ANPC1
SCHEMBL19365266 0.81 GRIN2B (0.38) RAF1BRAFFYNCA2CA9
SCHEMBL19365573 0.80 CA2 (0.39) RAF1BRAFCHRM4CHRM5CHRM1

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 4 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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — 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 KIF18A 2813/4885RAF1 2875/4885BRAF 3419/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 KIF18A 2813/4885RAF1 2875/4885BRAF 3419/4885

“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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