SCHEMBL19670384

SCHEMBL19670384

CCc1cnc(NC(O)N2c3nc(-c4ccc(C)nc4)ccc3N3CC[C@H]2C3)cn1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 14/20 0.36
▸ MTOR P42345 13/20 0.36
▸ PIK3CD O00329 2/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ SCD O00767 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ PIK3R1 P27986 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ JAK3 P52333 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
SCHEMBL19706138 0.89 WNT3A (0.33) HCRTR1GPR119HRH3JAK3
SCHEMBL19670402 0.85 PIK3CA (0.37) PIK3CAMTORPIK3CDPIK3CGSCD
SCHEMBL16754526 0.84 PIK3CA (0.37) PIK3CAMTORPIK3CDPIK3CGSCD
SCHEMBL19706176 0.84 PIK3CA (0.42) PIK3CAMTORPIK3CDPIK3CGSCD
SCHEMBL19670522 0.78 PIK3CA (0.38) PIK3CAMTORPIK3CDPIK3CG
SCHEMBL19670633 0.77 WNT3A (0.34) PIK3CAMTORPIK3CDPIK3CGSCD
SCHEMBL19670673 0.75 JAK3 (0.33) PIK3CAMTORKCNH2JAK3
SCHEMBL19670462 0.75 MTOR (0.40) PIK3CAMTORPIK3CDPIK3CGSCD
SCHEMBL16754298 0.74 WNT3A (0.38) HCRTR1JAK3
SCHEMBL19670481 0.74 KARS1 (0.41) HRH3

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 433/4885PIK3CD 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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