SCHEMBL19670550

SCHEMBL19670550

O=C(Nc1cc(-c2cnco2)ccn1)N1c2nc(-c3cccc(Cl)c3)ccc2C2C[C@@H](O)C21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ WNT1 P04628 13/20 0.38
▸ DYRK1A Q13627 13/20 0.38
▸ GSK3B P49841 11/20 0.38
▸ CNR2 P34972 1/20 0.35
▸ GRM5 P41594 2/20 0.35
▸ CLK2 P49760 1/20 0.34
▸ CLK3 P49761 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ NR3C2 P08235 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
SCHEMBL19706147 0.89 BRAF (0.44) RHOABRAFCNR2CNR1
SCHEMBL19670539 0.89 BRAF (0.37) RHOABRAFCNR2GRM5CNR1
SCHEMBL19706131 0.85 POLB (0.42) BRAFCNR2GRM5
SCHEMBL19365660 0.85 DYRK1A (0.37) RHOABRAFWNT1DYRK1AGSK3B
SCHEMBL17618833 0.82 RHOA (0.38) RHOABRAFWNT1DYRK1AGSK3B
SCHEMBL19670657 0.82 MPL (0.42) CNR2GRM5
SCHEMBL16776379 0.79 WNT1 (0.39) RHOABRAFWNT1DYRK1AGSK3B
SCHEMBL19706127 0.79 TSHR (0.47) GSK3BCNR2GRM5
SCHEMBL19706268 0.78 RHOA (0.46) RHOABRAF
SCHEMBL19670658 0.78 KDM1A (0.38) RHOABRAF

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 3 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

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 RHOA 4798/4885BRAF 3419/4885WNT1 3363/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 RHOA 4798/4885BRAF 3419/4885WNT1 3363/4885

“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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