SCHEMBL16776379

SCHEMBL16776379

C[C@@H]1CNc2ccc(-c3cccc(Cl)c3)nc2N(C(=O)Nc2cc(-c3cnco3)ccn2)[C@@H]1C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ WNT1 P04628 14/20 0.39
▸ DYRK1A Q13627 14/20 0.39
▸ GSK3B P49841 13/20 0.39
▸ BRAF P15056 1/20 0.38
▸ BRD4 O60885 2/20 0.37
▸ CREBBP Q92793 2/20 0.37
▸ RHOA P61586 1/20 0.37
▸ CNR2 P34972 1/20 0.35
▸ GRM5 P41594 1/20 0.34

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
SCHEMBL16785659 0.92 DYRK1A (0.37) WNT1DYRK1AGSK3BBRAFBRD4
SCHEMBL16776376 0.85 POLB (0.41) BRAFCNR2GRM5
SCHEMBL16776377 0.82 MPL (0.41) CNR2GRM5
SCHEMBL16776386 0.81 IMPDH2 (0.36) WNT1DYRK1AGSK3BBRAFBRD4
SCHEMBL19670550 0.79 RHOA (0.39) WNT1DYRK1AGSK3BBRAFRHOA
SCHEMBL17618833 0.78 RHOA (0.38) WNT1DYRK1AGSK3BBRAFCREBBP
SCHEMBL16776409 0.78 WNT1 (0.39) WNT1DYRK1AGSK3BBRAFBRD4
SCHEMBL16776399 0.77 CREBBP (0.42) DYRK1AGSK3BBRAFBRD4CREBBP
SCHEMBL16776380 0.77 BRAF (0.46) BRAFBRD4CREBBPRHOA
SCHEMBL16776357 0.77 BRAF (0.40) WNT1DYRK1AGSK3BBRAFRHOA

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 WNT1 3363/4885DYRK1A 2623/4885GSK3B 1728/4885

“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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