SCHEMBL16776422

SCHEMBL16776422

C[C@@H]1CCNc2ccc(-c3cccc(C(C)(F)F)c3)nc2N1C(=O)Nc1cc(-c2cnco2)cc(-c2cnco2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 4/20 0.40
▸ BRD4 O60885 3/20 0.40
▸ RHOA P61586 2/20 0.37
▸ BRAF P15056 1/20 0.36
▸ GRIN1 Q05586 2/20 0.34
▸ GRIN2B Q13224 2/20 0.34
▸ DYRK1A Q13627 3/20 0.34
▸ SLC5A1 P13866 2/20 0.34
▸ GSK3B P49841 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CLK2 P49760 1/20 0.32
▸ FYN P06241 1/20 0.32
▸ IL2 P60568 1/20 0.32

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
SCHEMBL16776282 0.91 RHOA (0.38) CREBBPBRD4RHOABRAFSLC5A1
SCHEMBL16776108 0.85 CREBBP (0.45) CREBBPBRD4RHOABRAFDYRK1A
SCHEMBL16776296 0.85 RHOA (0.36) CREBBPBRD4RHOABRAFSLC5A1
SCHEMBL16776368 0.85 RHOA (0.36) CREBBPBRD4RHOABRAFSLC5A1
SCHEMBL16776445 0.84 RHOA (0.36) CREBBPBRD4RHOABRAFDYRK1A
SCHEMBL16776407 0.83 CREBBP (0.44) CREBBPBRD4RHOABRAFDYRK1A
SCHEMBL16775979 0.83 CREBBP (0.44) CREBBPBRD4RHOABRAF
SCHEMBL19699053 0.82 RHOA (0.43) CREBBPBRD4RHOABRAFDYRK1A
SCHEMBL16776472 0.81 CA2 (0.41) BRAFSLC5A1CA2CA9FYN
SCHEMBL16776410 0.81 CREBBP (0.38) CREBBPBRD4RHOABRAFFYN

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 CREBBP 528/4885BRD4 180/4885RHOA 4798/4885

“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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