SCHEMBL19699109

SCHEMBL19699109

O=C(Nc1cc(-c2cnco2)ccn1)N1c2nc(-c3cccc(F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 14/20 0.39
▸ GSK3B P49841 13/20 0.39
▸ WNT1 P04628 12/20 0.39
▸ MAP3K7 O43318 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ CLK2 P49760 2/20 0.37
▸ CLK3 P49761 1/20 0.37
▸ BRAF P15056 1/20 0.36
▸ RHOA P61586 1/20 0.35
▸ CCR3 P51677 1/20 0.35
▸ HPGDS O60760 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
SCHEMBL17618859 0.92 DYRK1A (0.40) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL16238636 0.91 RHOA (0.40) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL17618869 0.89 DYRK1A (0.42) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL17767959 0.89 DYRK1A (0.42) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL17618856 0.89 DYRK1A (0.39) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL17778891 0.88 DYRK1A (0.40) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL17624504 0.87 RHOA (0.43) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19699090 0.87 DYRK1A (0.42) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL17624498 0.86 RHOA (0.40) DYRK1AGSK3BWNT1BRAFRHOA
SCHEMBL19706100 0.86 DYRK1A (0.39) DYRK1AGSK3BWNT1CLK2CLK3

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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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 DYRK1A 2623/4885GSK3B 1728/4885WNT1 3363/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 DYRK1A 2623/4885GSK3B 1728/4885WNT1 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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