SCHEMBL17618550

SCHEMBL17618550

O=C(Nc1ccc(F)cn1)N1c2nc(-c3cncc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 2/20 0.39
▸ LIPC P11150 2/20 0.39
▸ LIPG Q9Y5X9 2/20 0.39
▸ SCD O00767 1/20 0.39
▸ ABL1 P00519 2/20 0.38
▸ DYRK1A Q13627 1/20 0.37
▸ DEGS1 O15121 1/20 0.35
▸ TRPV1 Q8NER1 2/20 0.35
▸ HCRTR1 O43613 2/20 0.35
▸ FGFR4 P22455 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ CTPS1 P17812 1/20 0.34
▸ GPR55 Q9Y2T6 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ SCN10A Q9Y5Y9 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34

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
SCHEMBL17618380 0.91 LPL (0.41) LPLLIPCLIPGSCDTRPV1
SCHEMBL17618500 0.91 LPL (0.41) LPLLIPCLIPGSCDTRPV1
SCHEMBL17618566 0.89 TRPV1 (0.40) LPLLIPCLIPGABL1DYRK1A
SCHEMBL17618552 0.89 ABL1 (0.38) ABL1DYRK1AGRIN2BSCN10A
SCHEMBL17618541 0.89 SCD (0.38) LPLLIPCLIPGSCDABL1
SCHEMBL16249951 0.88 ABL1 (0.38) LIPGABL1DYRK1ASCN10A
SCHEMBL17618653 0.87 CYP3A4 (0.40) SCDABL1DYRK1ADEGS1FGFR4
SCHEMBL17618369 0.87 IDH2 (0.39) LPLLIPCLIPGTRPV1HCRTR1
SCHEMBL16238017 0.86 TRPV1 (0.39) LPLLIPCLIPGABL1DYRK1A
SCHEMBL16238662 0.86 TRPV1 (0.39) LPLLIPCLIPGABL1DYRK1A

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 LPL 2701/4885LIPC 1313/4885LIPG 355/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 LPL 2745/4885LIPC 1190/4885LIPG 447/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 LPL 2745/4885LIPC 1190/4885LIPG 447/4885

“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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