SCHEMBL17618478

SCHEMBL17618478

Cn1ccc(NC(=O)N2c3nc(-c4cccc(OC(F)(F)F)c4)ccc3N3CC[C@H]2C3)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ SCD O00767 1/20 0.41
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ FYN P06241 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.37
▸ PIM2 Q9P1W9 6/20 0.36
▸ PIM1 P11309 5/20 0.36
▸ FLT3 P36888 2/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ KCNH2 Q12809 3/20 0.36
▸ SMPD3 Q9NY59 1/20 0.36
▸ TYRO3 Q06418 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ SLC5A1 P13866 2/20 0.35
▸ GAK O14976 1/20 0.35
▸ STK10 O94804 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
SCHEMBL17618359 0.88 KMT2A (0.39) KCNH2
SCHEMBL19706185 0.86 NPC1 (0.42) PDE4BPDE4DSMPD3
SCHEMBL17618472 0.86 IRAK4 (0.42) IRAK4PDE4APDE4BPDE4DFYN
SCHEMBL17618450 0.86 PDE4A (0.43) IRAK4PDE4APDE4BPDE4DUSP30
SCHEMBL17618439 0.86 RAB9A (0.39) GAK
SCHEMBL19670168 0.85 IRAK4 (0.43) IRAK4SCDFYNUSP30PIM2
SCHEMBL19669044 0.85 GSK3B (0.42) PDE4APDE4BPDE4DUSP30GSK3B
SCHEMBL17618440 0.85 ABL1 (0.40) IRAK4SCDPDE4APDE4BPDE4D
SCHEMBL17618471 0.85 MPL (0.45) IRAK4PDE4APDE4BPDE4DUSP30
SCHEMBL17618470 0.85 ABL1 (0.42) PDE4APDE4BPDE4DFYNGSK3B

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 IRAK4 3208/4885SCD 928/4885PDE4A 2862/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IRAK4 2599/4885SCD 1014/4885PDE4A 2267/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 IRAK4 2599/4885SCD 1014/4885PDE4A 2267/4885

“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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