SCHEMBL17618653

SCHEMBL17618653

O=C(Nc1ccc(F)cn1)N1c2nc(-c3cncc(F)c3)ccc2N2CCC[C@H]1C2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.40
▸ PORCN Q9H237 2/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ GSK3B P49841 4/20 0.39
▸ DYRK1A Q13627 4/20 0.39
▸ ABL1 P00519 3/20 0.38
▸ DEGS1 O15121 1/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ CDC42BPB Q9Y5S2 1/20 0.37
▸ FGFR4 P22455 1/20 0.36
▸ SCD O00767 1/20 0.36
▸ DGAT2 Q96PD7 1/20 0.35
▸ PIM2 Q9P1W9 2/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ NPY5R Q15761 2/20 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
SCHEMBL17618628 0.93 CYP3A4 (0.37) CYP3A4PORCNJAK2NTRK1CYP2D6
SCHEMBL17618686 0.91 GSK3B (0.37) CYP3A4PORCNJAK2NTRK1CYP2D6
SCHEMBL17618654 0.90 ROCK2 (0.39) CYP3A4PORCNCYP2D6GSK3BDYRK1A
SCHEMBL19670363 0.90 ROCK2 (0.37) CYP3A4PORCNJAK2NTRK1CYP2D6
SCHEMBL17618541 0.88 SCD (0.38) CYP3A4PORCNJAK2NTRK1CYP2D6
SCHEMBL17618550 0.87 LPL (0.39) JAK2DYRK1AABL1DEGS1FGFR4
SCHEMBL17618446 0.86 GRM5 (0.42) DEGS1
SCHEMBL17618632 0.86 FGFR4 (0.39) CYP3A4PORCNCYP2D6GSK3BDYRK1A
SCHEMBL17618605 0.86 GSK3B (0.38) CYP3A4PORCNJAK2NTRK1CYP2D6
SCHEMBL17618391 0.85 SCD (0.41) ABL1DEGS1SCDNPY5R

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 CYP3A4 2632/4885PORCN 3617/4885JAK2 2409/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CYP3A4 2788/4885PORCN 3797/4885JAK2 2392/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CYP3A4 2788/4885PORCN 3797/4885JAK2 2392/4885

“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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