SCHEMBL17618454

SCHEMBL17618454

O=C(Nc1ccc(F)cn1)N1c2nc(-c3ccnc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ SCD O00767 3/20 0.37
▸ RAF1 P04049 1/20 0.36
▸ LPL P06858 1/20 0.36
▸ LIPC P11150 1/20 0.36
▸ LIPG Q9Y5X9 1/20 0.36
▸ NR3C2 P08235 1/20 0.35
▸ HCRTR1 O43613 4/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ RPS6KB1 P23443 3/20 0.34
▸ AKT1 P31749 3/20 0.34
▸ HCRTR2 O43614 2/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ TRPA1 O75762 1/20 0.33
▸ DEGS1 O15121 1/20 0.33

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
SCHEMBL17618458 0.89 TRPV1 (0.41) CYP2C19PIK3CALPLLIPCLIPG
SCHEMBL17618513 0.89 HCRTR1 (0.42) SCDHCRTR1
SCHEMBL17618380 0.87 LPL (0.41) CYP2C19PIK3CASCDRAF1LPL
SCHEMBL17618500 0.87 LPL (0.41) CYP2C19PIK3CASCDRAF1LPL
SCHEMBL16238200 0.87 SCD (0.37) SCDLPLLIPCLIPGJAK2
SCHEMBL17618688 0.87 SCD (0.38) SCDLPLLIPCLIPGHCRTR1
SCHEMBL17618679 0.87 SCD (0.38) SCDLPLLIPCLIPGHCRTR1
SCHEMBL17768065 0.86 NR3C2 (0.38) CYP2C19PIK3CARAF1NR3C2RPS6KB1
SCHEMBL17778750 0.86 NR3C2 (0.38) CYP2C19PIK3CARAF1NR3C2RPS6KB1
SCHEMBL17618569 0.86 P2RX3 (0.37) SCDLPLLIPCLIPGP2RX3

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 CYP2C19 2600/4885PIK3CA 4235/4885SCD 928/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CYP2C19 2647/4885PIK3CA 3691/4885SCD 1014/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CYP2C19 2647/4885PIK3CA 3691/4885SCD 1014/4885

“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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