SCHEMBL17618628

SCHEMBL17618628

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ DEGS1 O15121 1/20 0.37
▸ HCRTR1 O43613 2/20 0.37
▸ GRM5 P41594 4/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ FGFR4 P22455 1/20 0.35
▸ DGAT2 Q96PD7 1/20 0.34
▸ SCD O00767 1/20 0.34
▸ ABL1 P00519 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ PORCN Q9H237 1/20 0.34
▸ WNT1 P04628 1/20 0.34
▸ DYRK1A Q13627 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
SCHEMBL17618541 0.96 SCD (0.38) CYP3A4CYP1A2CYP2C9DEGS1HCRTR1
SCHEMBL17618653 0.93 CYP3A4 (0.40) CYP3A4DEGS1JAK2NTRK1FGFR4
SCHEMBL17618446 0.90 GRM5 (0.42) DEGS1HCRTR1GRM5
SCHEMBL17618633 0.89 GRM5 (0.39) GRM5DGAT2DYRK1A
SCHEMBL17618642 0.88 DGAT2 (0.36) GRM5DGAT2DYRK1A
SCHEMBL17618376 0.86 GRM5 (0.39) GRM5SCD
SCHEMBL17618499 0.86 GRM5 (0.39) GRM5SCD
SCHEMBL19706056 0.85 PIM2 (0.38) DGAT2ABL1DYRK1A
SCHEMBL17618550 0.85 LPL (0.39) DEGS1HCRTR1JAK2FGFR4SCD
SCHEMBL17618686 0.84 GSK3B (0.37) CYP3A4GRM5JAK2NTRK1DGAT2

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 2632/4885CYP1A2 3430/4885CYP2C9 2328/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CYP3A4 2788/4885CYP1A2 3492/4885CYP2C9 2535/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CYP3A4 2788/4885CYP1A2 3492/4885CYP2C9 2535/4885

“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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