SCHEMBL17618697

SCHEMBL17618697

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2ccc4cn(C)cc4c2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.37
▸ WNT3A P56704 6/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ IRAK4 Q9NWZ3 3/20 0.33
▸ GPR142 Q7Z601 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ RAF1 P04049 1/20 0.32

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
SCHEMBL16754671 0.90 HRH3 (0.38) HRH3WNT3AABL1USP30KDM4E
SCHEMBL16238356 0.88 NOTUM (0.38) HRH3WNT3AIRAK4KDM4E
SCHEMBL16754297 0.88 WNT3A (0.43) WNT3AABL1PSEN1PSEN2APH1B
SCHEMBL17768108 0.88 WNT3A (0.43) WNT3AABL1PSEN1PSEN2APH1B
SCHEMBL17618695 0.87 BTK (0.39) WNT3A
SCHEMBL17618728 0.87 NOTUM (0.38) HRH3WNT3A
SCHEMBL16754697 0.86 KDM4E (0.49) GPR142KDM4E
SCHEMBL19699123 0.85 FGFR4 (0.35) WNT3AABL1USP30IRAK4
SCHEMBL16754304 0.85 TRPV1 (0.47) —
SCHEMBL16754601 0.85 KDM4E (0.46) HRH3GPR142KDM4E

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-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 (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 HRH3 2667/4885WNT3A 4128/4885ABL1 3987/4885

“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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