SCHEMBL17624504

SCHEMBL17624504

O=C(Nc1cc(-c2cnco2)ccn1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CCC[C@H]1C2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 2/20 0.43
▸ DYRK1A Q13627 8/20 0.38
▸ GSK3B P49841 6/20 0.38
▸ WNT1 P04628 6/20 0.37
▸ IDH2 P48735 4/20 0.37
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PHGDH O43175 1/20 0.36
▸ CLK2 P49760 2/20 0.35
▸ UCHL1 P09936 1/20 0.35
▸ CLK3 P49761 1/20 0.35
▸ DGAT2 Q96PD7 1/20 0.35

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
SCHEMBL16238636 0.96 RHOA (0.40) RHOADYRK1AGSK3BWNT1IDH2
SCHEMBL17624498 0.92 RHOA (0.40) RHOADYRK1AGSK3BWNT1IDH2
SCHEMBL17618774 0.90 RHOA (0.42) RHOADYRK1AGSK3BIDH2KDM4E
SCHEMBL17618361 0.87 ALOX15 (0.43) IDH2CA2CA9KDM4EUSP2
SCHEMBL17618812 0.87 RHOA (0.39) RHOADYRK1AGSK3BWNT1CA2
SCHEMBL19865069 0.87 RHOA (0.48) RHOAIDH2CA2CA9LMNA
SCHEMBL16250011 0.87 RHOA (0.48) RHOAIDH2CA2CA9LMNA
SCHEMBL17778891 0.87 DYRK1A (0.40) RHOADYRK1AGSK3BWNT1CLK2
SCHEMBL16249983 0.87 RHOA (0.48) RHOAIDH2CA2CA9LMNA
SCHEMBL19699109 0.87 DYRK1A (0.39) RHOADYRK1AGSK3BWNT1CLK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RHOA 4858/4885DYRK1A 2415/4885GSK3B 2465/4885

“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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