SCHEMBL16776404

SCHEMBL16776404

C[C@@H]1CCNc2ccc(-c3cncc(F)c3)nc2N1C(=O)Nc1cncc(-c2cnco2)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.36
▸ CREBBP Q92793 2/20 0.36
▸ DYRK1A Q13627 13/20 0.35
▸ CLK2 P49760 8/20 0.34
▸ WNT1 P04628 5/20 0.33
▸ GSK3B P49841 5/20 0.33
▸ BRAF P15056 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CLK3 P49761 7/20 0.32
▸ RPS6KA3 P51812 1/20 0.32
▸ RPS6KA2 Q15349 1/20 0.32
▸ AKT1 P31749 1/20 0.31

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
SCHEMBL16776407 0.93 CREBBP (0.44) BRD4CREBBPDYRK1ACLK2WNT1
SCHEMBL16776413 0.89 DYRK1A (0.41) DYRK1AWNT1GSK3B
SCHEMBL16776425 0.88 BRD4 (0.35) BRD4CREBBPDYRK1ACLK2WNT1
SCHEMBL16776420 0.87 PIM1 (0.34) BRD4CREBBPDYRK1AWNT1GSK3B
SCHEMBL16776410 0.85 CREBBP (0.38) BRD4CREBBPBRAFRPS6KA3RPS6KA2
SCHEMBL19670659 0.85 DYRK1A (0.34) DYRK1ACLK2WNT1GSK3BBRAF
SCHEMBL16776017 0.82 GSK3B (0.38) DYRK1ACLK2GSK3BKDM4ECLK3
SCHEMBL16776108 0.81 CREBBP (0.45) BRD4CREBBPDYRK1AWNT1GSK3B
SCHEMBL16776236 0.81 PRMT5 (0.38) BRD4CREBBPDYRK1ACLK2GSK3B
SCHEMBL16776422 0.81 CREBBP (0.40) BRD4CREBBPDYRK1ACLK2WNT1

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 BRD4 180/4885CREBBP 528/4885DYRK1A 2623/4885

“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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