SCHEMBL17618547

SCHEMBL17618547

O=C(Nc1ccc(F)cn1)N1c2nc(-c3cccc(N4CC[C@H](F)C4)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 1/20 0.37
▸ SCD O00767 2/20 0.37
▸ F10 P00742 2/20 0.36
▸ DEGS1 O15121 3/20 0.35
▸ PDE10A Q9Y233 1/20 0.34
▸ PRKCA P17252 1/20 0.34
▸ PRKCQ Q04759 1/20 0.34
▸ NTRK1 P04629 1/20 0.33
▸ MAP4K1 Q92918 1/20 0.33
▸ ITK Q08881 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ LYN P07948 3/20 0.33
▸ SRC P12931 3/20 0.33
▸ BTK Q06187 2/20 0.33
▸ FGFR4 P22455 1/20 0.33
▸ LPL P06858 1/20 0.32
▸ LIPC P11150 1/20 0.32
▸ LIPG Q9Y5X9 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ CYP46A1 Q9Y6A2 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
SCHEMBL17618548 1.00 VCP (0.37) VCPSCDF10DEGS1PDE10A
SCHEMBL19361168 0.93 VCP (0.39) VCPSCDF10DEGS1ITK
SCHEMBL17618574 0.93 VCP (0.37) VCPSCDF10DEGS1LPL
SCHEMBL17618391 0.90 SCD (0.41) SCDDEGS1
SCHEMBL17618535 0.89 VCP (0.35) VCPSCDF10DEGS1ITK
SCHEMBL17618555 0.89 VCP (0.43) VCPPDE10APRKCAPRKCQNTRK1
SCHEMBL17618553 0.89 VCP (0.43) VCPPDE10APRKCAPRKCQNTRK1
SCHEMBL17618499 0.88 GRM5 (0.39) SCDF10CNR1LRRK2
SCHEMBL17618376 0.88 GRM5 (0.39) SCDF10CNR1LRRK2
SCHEMBL16238803 0.88 KARS1 (0.41) VCPF10PDE10APRKCAPRKCQ

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 VCP 1889/4885SCD 928/4885F10 1542/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 VCP 1270/4885SCD 1014/4885F10 1387/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 VCP 1270/4885SCD 1014/4885F10 1387/4885

“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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