SCHEMBL17618472

SCHEMBL17618472

Cn1cc(NC(=O)N2c3nc(-c4cccc(OC(F)(F)F)c4)ccc3N3CC[C@H]2C3)cn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ ABL1 P00519 6/20 0.39
▸ FYN P06241 1/20 0.38
▸ KIT P10721 2/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ NTRK1 P04629 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ NTRK3 Q16288 1/20 0.37
▸ NTRK2 Q16620 1/20 0.37
▸ MET P08581 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.37
▸ NOTUM Q6P988 1/20 0.36
▸ TYRO3 Q06418 1/20 0.36
▸ HPGDS O60760 1/20 0.36
▸ FGFR1 P11362 1/20 0.35
▸ FGFR2 P21802 1/20 0.35
▸ KDR P35968 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
SCHEMBL17618385 0.88 MAPT (0.41) KITNTRK1KCNH2
SCHEMBL17618475 0.88 ABL1 (0.39) IRAK4ABL1FYNPDE4APDE4B
SCHEMBL17618467 0.87 ABL1 (0.47) ABL1PDE4APDE4BPDE4D
SCHEMBL17618478 0.86 IRAK4 (0.42) IRAK4ABL1FYNPDE4APDE4B
SCHEMBL17618474 0.86 ABL1 (0.42) ABL1FYNPDE4APDE4BPDE4D
SCHEMBL17618429 0.86 LRRK2 (0.40) IRAK4
SCHEMBL17618496 0.84 CLK2 (0.39) IRAK4ABL1
SCHEMBL17618372 0.84 IDH2 (0.40) KITNTRK1
SCHEMBL17618486 0.84 LRRK2 (0.38) IRAK4METUSP30
SCHEMBL17618470 0.83 ABL1 (0.42) ABL1FYNPDE4APDE4BPDE4D

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 3208/4885ABL1 3987/4885FYN 3025/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IRAK4 2599/4885ABL1 4089/4885FYN 2694/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 IRAK4 2599/4885ABL1 4089/4885FYN 2694/4885

“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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