SCHEMBL19670522

SCHEMBL19670522

Cc1ccc(-c2ccc3c(n2)N(C(O)NC2CCOC2)[C@H]2CCN3C2)cn1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 7/20 0.38
▸ MTOR P42345 7/20 0.38
▸ SYK P43405 2/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ AKT1 P31749 2/20 0.37
▸ SMO Q99835 1/20 0.36
▸ GABRA1 P14867 3/20 0.36
▸ OPRK1 P41145 1/20 0.35
▸ GPR6 P46095 4/20 0.35

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
SCHEMBL19706176 0.84 PIK3CA (0.42) PIK3CAMTORPIK3CDPIK3CG
SCHEMBL17768116 0.82 PIK3CA (0.40) PIK3CAMTORSYKAKT1SMO
SCHEMBL16754397 0.82 PIK3CA (0.40) PIK3CAMTORSYKAKT1SMO
SCHEMBL19670402 0.80 PIK3CA (0.37) PIK3CAMTORPIK3CDPIK3CG
SCHEMBL16754693 0.78 PIK3CA (0.41) PIK3CAMTORAKT1SMOGABRA1
SCHEMBL19670384 0.78 PIK3CA (0.36) PIK3CAMTORPIK3CDPIK3CG
SCHEMBL16754470 0.77 GABRA1 (0.41) PIK3CAMTORAKT1GABRA1
SCHEMBL19670633 0.75 WNT3A (0.34) PIK3CAMTORPIK3CDPIK3CG
SCHEMBL17770593 0.72 PIK3CA (0.41) PIK3CAMTORPIK3CDPIK3CG
SCHEMBL16754549 0.72 PIK3CA (0.41) PIK3CAMTORPIK3CDPIK3CG

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 3 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-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 (2 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 PIK3CA 3691/4885MTOR 433/4885SYK 2995/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PIK3CA 3691/4885MTOR 433/4885SYK 2995/4885

“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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