SCHEMBL17618866

SCHEMBL17618866

O=C(Nc1cccc(-c2cnco2)n1)N1c2nc(-c3cncc(F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ PORCN Q9H237 1/20 0.33
▸ MAP3K5 Q99683 1/20 0.33
▸ GSK3B P49841 6/20 0.32
▸ DYRK1A Q13627 6/20 0.32
▸ WNT1 P04628 3/20 0.32
▸ BRAF P15056 1/20 0.32
▸ RHOA P61586 1/20 0.32
▸ ABL1 P00519 6/20 0.32
▸ CCR3 P51677 1/20 0.31
▸ CTPS1 P17812 1/20 0.31

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
SCHEMBL17618855 0.88 CCR3 (0.41) GSK3BDYRK1AWNT1BRAFRHOA
SCHEMBL17618859 0.88 DYRK1A (0.40) GSK3BDYRK1AWNT1ABL1
SCHEMBL17618852 0.87 KDM4E (0.35) GSK3BDYRK1AWNT1RHOAABL1
SCHEMBL17618769 0.87 RHOA (0.40) HTR1AGSK3BDYRK1ABRAFRHOA
SCHEMBL17618851 0.85 KIF18A (0.36) HTR1AMAP3K5GSK3BDYRK1AWNT1
SCHEMBL19670434 0.84 DYRK1A (0.34) HTR1ACYP3A4CYP2D6PORCNMAP3K5
SCHEMBL17618605 0.84 GSK3B (0.38) CYP3A4CYP2D6PORCNMAP3K5GSK3B
SCHEMBL16249978 0.83 CREBBP (0.42) GSK3BDYRK1AWNT1BRAFRHOA
SCHEMBL19699109 0.83 DYRK1A (0.39) GSK3BDYRK1AWNT1BRAFRHOA
SCHEMBL17618774 0.83 RHOA (0.42) HTR1AGSK3BDYRK1ARHOA

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 HTR1A 4635/4885CYP3A4 2632/4885CYP2D6 4140/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HTR1A 4632/4885CYP3A4 2788/4885CYP2D6 4121/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 HTR1A 4632/4885CYP3A4 2788/4885CYP2D6 4121/4885

“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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