SCHEMBL17618683

SCHEMBL17618683

Cc1nc(NC(=O)N2c3nc(-c4cccnc4)ccc3N3CCC[C@H]2C3)sc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.45
▸ PIK3CG P48736 2/20 0.45
▸ PIK3CD O00329 1/20 0.45
▸ PIK3CB P42338 1/20 0.45
▸ PIM3 Q86V86 2/20 0.42
▸ PIM2 Q9P1W9 2/20 0.42
▸ PIM1 P11309 6/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ CDC42BPB Q9Y5S2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 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
SCHEMBL17618712 0.89 HCRTR1 (0.35) PIK3CAPIK3CGPIK3CDPIK3CBPIM3
SCHEMBL17618711 0.89 SMN1; SMN2 (0.38) PIK3CAPIK3CGPIK3CDPIK3CBSMN1; SMN2
SCHEMBL17618627 0.88 CRHR1 (0.35) PIK3CAPIK3CGPIK3CDPIK3CBSMN1; SMN2
SCHEMBL17618687 0.88 ACKR3 (0.39) PIK3CAPIK3CGPIK3CDPIK3CBPIM2
SCHEMBL17618713 0.88 ABL1 (0.44) PIK3CAPIK3CGPIK3CDPIK3CBPIM3
SCHEMBL16754546 0.86 PIK3CD (0.38) PIK3CAPIK3CGPIK3CDPIK3CBSMN1; SMN2
SCHEMBL17618650 0.86 ABL1 (0.35) PIK3CAPIK3CGPIK3CDPIK3CBSMN1; SMN2
SCHEMBL17618536 0.86 SMN1; SMN2 (0.40) PIK3CAPIK3CGPIK3CDPIK3CBSMN1; SMN2
SCHEMBL17618612 0.86 SMN1; SMN2 (0.40) PIK3CAPIK3CGPIK3CDPIK3CBSMN1; SMN2
SCHEMBL19365381 0.86 SMN1; SMN2 (0.40) PIK3CAPIK3CGPIK3CDPIK3CBSMN1; SMN2

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 PIK3CA 4235/4885PIK3CG 3799/4885PIK3CD 3933/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PIK3CA 3691/4885PIK3CG 3210/4885PIK3CD 3327/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PIK3CA 3691/4885PIK3CG 3210/4885PIK3CD 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.

Send feedback