SCHEMBL17618812

SCHEMBL17618812

O=C(Nc1cc(-c2cnco2)ccn1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2C[C@@H](O)[C@H]1C2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 1/20 0.39
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ BRAF P15056 1/20 0.36
▸ DYRK1A Q13627 9/20 0.36
▸ WNT1 P04628 8/20 0.36
▸ GSK3B P49841 8/20 0.36
▸ CLK2 P49760 1/20 0.35
▸ CLK3 P49761 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ SMG1 Q96Q15 1/20 0.35
▸ KMO O15229 1/20 0.35
▸ KARS1 Q15046 1/20 0.34
▸ IDH1 O75874 1/20 0.34
▸ MAP3K12 Q12852 1/20 0.33
▸ SRPK1 Q96SB4 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33

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
SCHEMBL17618858 0.92 DYRK1A (0.36) RHOABRAFDYRK1AWNT1GSK3B
SCHEMBL16238774 0.90 RHOA (0.45) RHOACA2CA9BRAFCREBBP
SCHEMBL17618833 0.89 RHOA (0.38) RHOABRAFDYRK1AWNT1GSK3B
SCHEMBL16249945 0.89 RHOA (0.37) RHOACA2CA9BRAFKMO
SCHEMBL16238636 0.88 RHOA (0.40) RHOACA2CA9BRAFDYRK1A
SCHEMBL17624498 0.88 RHOA (0.40) RHOACA2CA9BRAFDYRK1A
SCHEMBL17624504 0.87 RHOA (0.43) RHOACA2CA9DYRK1AWNT1
SCHEMBL17618802 0.86 ALOX15 (0.44) CA2CA9DYRK1AGSK3BCLK2
SCHEMBL17618848 0.84 RHOA (0.44) RHOABRAFCREBBP
SCHEMBL19361167 0.84 PHGDH (0.40) CA2CA9KMOKARS1

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 9 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-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
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-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
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 (3 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 4858/4885CA2 4636/4885CA9 4430/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RHOA 4798/4885CA2 4253/4885CA9 4248/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 RHOA 4798/4885CA2 4253/4885CA9 4248/4885

“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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