SCHEMBL16754515

SCHEMBL16754515

Cc1ccc(-c2ccc3c(n2)N(C(=O)Nc2cncc(OCC(O)CO)n2)[C@H]2CCN3C2)cn1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 13/20 0.34
▸ MTOR P42345 13/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ MAOB P27338 2/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.32
▸ RAF1 P04049 1/20 0.32
▸ ABL1 P00519 2/20 0.31
▸ SMPD3 Q9NY59 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
SCHEMBL16754514 1.00 PIK3CA (0.34) PIK3CAMTORPIK3CDPIK3CGMAOB
SCHEMBL16754425 1.00 PIK3CA (0.34) PIK3CAMTORPIK3CDPIK3CGMAOB
SCHEMBL19689734 0.92 RAF1 (0.33) FFAR4RAF1ABL1
SCHEMBL19689733 0.92 RAF1 (0.33) FFAR4RAF1ABL1
SCHEMBL16238670 0.87 GRM5 (0.34) FFAR4RAF1
SCHEMBL16754361 0.85 RAF1 (0.36) MAOBRAF1
SCHEMBL16754360 0.85 RAF1 (0.36) MAOBRAF1
SCHEMBL16754334 0.85 RAF1 (0.36) MAOBRAF1
SCHEMBL16754408 0.85 PIK3CA (0.39) PIK3CAMTORPIK3CDPIK3CGABL1
SCHEMBL17778246 0.83 PIK3CA (0.33) PIK3CAMTORSMPD3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US claimed
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 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
EP-3221312-A2 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline LLC (US) 2017-09-27 — — EP disclosed
WO-2016081692-A2 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-26 — — WO disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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 (4 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PIK3CA 3691/4885MTOR 433/4885PIK3CD 3327/4885
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PIK3CA 4059/4885MTOR 395/4885PIK3CD 3771/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PIK3CA 3691/4885MTOR 433/4885PIK3CD 3327/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PIK3CA 3691/4885MTOR 433/4885PIK3CD 3327/4885

“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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