SCHEMBL16776407

SCHEMBL16776407

C[C@@H]1CCNc2ccc(-c3cncc(F)c3)nc2N1C(=O)Nc1cccc(-c2cnco2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 3/20 0.44
▸ BRD4 O60885 2/20 0.44
▸ BRAF P15056 3/20 0.41
▸ CCR3 P51677 1/20 0.38
▸ RHOA P61586 1/20 0.37
▸ RPS6KA2 Q15349 1/20 0.36
▸ IMPDH2 P12268 1/20 0.35
▸ MAP3K7 O43318 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ LIMK2 P53671 1/20 0.35
▸ PRKCQ Q04759 1/20 0.34
▸ CLK2 P49760 1/20 0.34
▸ RAF1 P04049 2/20 0.34
▸ SLC5A1 P13866 1/20 0.34
▸ WNT1 P04628 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ CASR P41180 1/20 0.33
▸ PIM1 P11309 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
SCHEMBL16776404 0.93 BRD4 (0.36) CREBBPBRD4BRAFRPS6KA2CLK2
SCHEMBL16776108 0.89 CREBBP (0.45) CREBBPBRD4BRAFCCR3RHOA
SCHEMBL16776413 0.88 DYRK1A (0.41) WNT1GSK3BDYRK1A
SCHEMBL16776420 0.88 PIM1 (0.34) CREBBPBRD4BRAFSLC5A1WNT1
SCHEMBL16775979 0.87 CREBBP (0.44) CREBBPBRD4BRAFRHOAIMPDH2
SCHEMBL19670332 0.85 BRAF (0.41) CREBBPBRD4BRAFCCR3RHOA
SCHEMBL16776410 0.83 CREBBP (0.38) CREBBPBRD4BRAFRHOARPS6KA2
SCHEMBL16776422 0.83 CREBBP (0.40) CREBBPBRD4BRAFRHOACLK2
SCHEMBL16776052 0.83 CREBBP (0.43) CREBBPBRD4BRAFCCR3RHOA
SCHEMBL16776425 0.81 BRD4 (0.35) CREBBPBRD4BRAFRPS6KA2CLK2

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
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 180/4885BRAF 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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