SCHEMBL17618650

SCHEMBL17618650

Cc1nc(NC(=O)N2c3nc(-c4cncc(C(F)(F)F)c4)ccc3N3CCC[C@H]2C3)sc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.35
▸ ACKR3 P25106 1/20 0.35
▸ PIK3CD O00329 4/20 0.34
▸ PIK3CA P42336 4/20 0.34
▸ PIK3CG P48736 3/20 0.34
▸ CRHR1 P34998 1/20 0.34
▸ PTGS2 P35354 4/20 0.33
▸ PIK3CB P42338 2/20 0.33
▸ GAK O14976 1/20 0.33
▸ PRKACG P22612 1/20 0.33
▸ PIK3R1 P27986 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL17618366 0.90 IDH2 (0.38) GAASMN1; SMN2
SCHEMBL17618687 0.90 ACKR3 (0.39) ABL1ACKR3PIK3CDPIK3CAPIK3CG
SCHEMBL17618712 0.90 HCRTR1 (0.35) ACKR3PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL17618627 0.89 CRHR1 (0.35) ACKR3PIK3CDPIK3CAPIK3CGCRHR1
SCHEMBL17618683 0.86 PIK3CA (0.45) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL17618497 0.85 ALDH1A1 (0.39) CRHR1ADORA2AADORA1CNR2SMN1; SMN2
SCHEMBL17618379 0.85 ALDH1A1 (0.39) CRHR1ADORA2AADORA1CNR2SMN1; SMN2
SCHEMBL17618841 0.85 PIK3CD (0.35) ABL1PIK3CDCRHR1
SCHEMBL16754349 0.84 SCN10A (0.38) ABL1CNR2LCKKDRTEK
SCHEMBL17618711 0.84 SMN1; SMN2 (0.38) ABL1ACKR3PIK3CDPIK3CAPIK3CG

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 ABL1 3987/4885ACKR3 4278/4885PIK3CD 3933/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ABL1 4089/4885ACKR3 3975/4885PIK3CD 3327/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ABL1 4089/4885ACKR3 3975/4885PIK3CD 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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