SCHEMBL17624498

SCHEMBL17624498

O=C(Nc1cc(-c2cnco2)ccn1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CCC1CC2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 1/20 0.40
▸ GSK3B P49841 10/20 0.39
▸ DYRK1A Q13627 10/20 0.39
▸ WNT1 P04628 9/20 0.39
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ KMO O15229 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ SMG1 Q96Q15 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ SRPK1 Q96SB4 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ IDH2 P48735 2/20 0.35
▸ KARS1 Q15046 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) RHOAGSK3BDYRK1AWNT1CA2
SCHEMBL17624504 0.92 RHOA (0.43) RHOAGSK3BDYRK1AWNT1CA2
SCHEMBL16249975 0.90 RHOA (0.48) RHOACA2CA9BRAFIDH2
SCHEMBL16249976 0.90 RHOA (0.39) RHOAGSK3BDYRK1AWNT1CA2
SCHEMBL19699090 0.89 DYRK1A (0.42) GSK3BDYRK1AWNT1CA9BRAF
SCHEMBL19365674 0.89 RHOA (0.43) RHOACA2CA9BRAFIDH2
SCHEMBL19706100 0.88 DYRK1A (0.39) GSK3BDYRK1AWNT1BRAF
SCHEMBL17618812 0.88 RHOA (0.39) RHOAGSK3BDYRK1AWNT1CA2
SCHEMBL19865030 0.86 DYRK1A (0.40) RHOAGSK3BDYRK1AWNT1CA2
SCHEMBL16776205 0.86 TSHR (0.46) CA2CA9KMORPS6KB1IDH2

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 4858/4885GSK3B 2465/4885DYRK1A 2415/4885

“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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