SCHEMBL17618707

SCHEMBL17618707

COc1cncc(NC(=O)N2c3nc(-c4ccnc(C)c4)ccc3N3CC[C@H]2C3)n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 5/20 0.36
▸ SMPD3 Q9NY59 1/20 0.35
▸ HPGDS O60760 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ JAK3 P52333 1/20 0.34
▸ POLQ O75417 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ MAPK1 P28482 5/20 0.33
▸ PIK3C3 Q8NEB9 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
SCHEMBL16754310 0.95 WNT3A (0.36) WNT3AHPGDSABL1JAK3MAPK1
SCHEMBL16754445 0.92 DYRK1A (0.36) WNT3AABL1JAK3GSK3BMAPK1
SCHEMBL16754381 0.92 GSK3B (0.34) WNT3AABL1JAK3GSK3BMAPK1
SCHEMBL17618709 0.91 ABL1 (0.37) WNT3AABL1JAK3MAPK1
SCHEMBL17618717 0.90 SMO (0.38) WNT3ASMPD3HPGDSABL1JAK3
SCHEMBL16754333 0.89 ABL1 (0.35) WNT3AABL1JAK3MAPK1
SCHEMBL16754575 0.89 MAPK1 (0.35) WNT3AABL1JAK3MAPK1
SCHEMBL19689734 0.88 RAF1 (0.33) WNT3AABL1JAK3FFAR4MAPK1
SCHEMBL19689733 0.88 RAF1 (0.33) WNT3AABL1JAK3FFAR4MAPK1
SCHEMBL17618522 0.88 FAAH (0.39) WNT3ASMPD3HPGDSABL1GSK3B

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 WNT3A 4128/4885SMPD3 3282/4885HPGDS 1307/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 WNT3A 4291/4885SMPD3 2829/4885HPGDS 1358/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 WNT3A 4291/4885SMPD3 2829/4885HPGDS 1358/4885

“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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