SCHEMBL19670565

SCHEMBL19670565

CCN1CCCN(C(=O)Nc2cncc(F)c2)c2nc(-c3ccnc(C)c3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 10/20 0.37
▸ CYP11B2 P19099 1/20 0.36
▸ HTR2A P28223 3/20 0.35
▸ HTR2C P28335 3/20 0.35
▸ HTR2B P41595 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RAF1 P04049 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ CLK2 P49760 1/20 0.34
▸ CLK3 P49761 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34

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
SCHEMBL19706092 0.91 CYP11B2 (0.37) WNT3ACYP11B2HTR2AHTR2CHTR2B
SCHEMBL19670620 0.90 HTR2A (0.38) WNT3ACYP11B2HTR2AHTR2CPSEN1
SCHEMBL19670692 0.90 BRAF (0.38) HTR2AHTR2CHTR2BCYP1A2RAF1
SCHEMBL19670352 0.89 HTR2C (0.47) HTR2AHTR2CHTR2B
SCHEMBL19670622 0.85 CSF1R (0.40) WNT3APSEN1PSEN2APH1BNCSTN
SCHEMBL19670124 0.84 WNT3A (0.40) WNT3ACYP11B2
SCHEMBL16776025 0.83 CYP11B2 (0.38) WNT3ACYP11B2HTR2AHTR2CHTR2B
SCHEMBL19670569 0.83 FAAH (0.36) WNT3ACYP11B2
SCHEMBL19670435 0.83 WNT3A (0.36) WNT3ACYP11B2
SCHEMBL19699073 0.82 HTR2C (0.39) CYP11B2HTR2AHTR2CHTR2BCYP1A2

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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — 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

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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 WNT3A 4291/4885CYP11B2 1166/4885HTR2A 4386/4885
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 WNT3A 4543/4885CYP11B2 507/4885HTR2A 4669/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 WNT3A 4291/4885CYP11B2 1166/4885HTR2A 4386/4885

“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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