SCHEMBL16238490

SCHEMBL16238490

O=C(O)NCc1cn(-c2cccc(NC(=O)N3c4nc(-c5cccc(C(F)(F)F)c5)ccc4N4CC[C@H]3C4)c2)nn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 6/20 0.40
▸ ALK Q9UM73 4/20 0.39
▸ AURKB Q96GD4 3/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ NOTUM Q6P988 1/20 0.37
▸ GPR142 Q7Z601 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ MET P08581 1/20 0.36
▸ IDH2 P48735 1/20 0.36
▸ DDT P30046 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 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
SCHEMBL16249982 0.92 AURKA (0.38) AURKAALKAURKBNOTUMGPR142
SCHEMBL16238555 0.91 NOTUM (0.46) AURKAALKAURKBNOTUMGPR142
Trifluoroacetic Acid SCHEMBL16238799 0.90 NOTUM (0.44) AURKAALKAURKBNOTUMGPR142
SCHEMBL16249981 0.90 HDAC3 (0.40) AURKAALKAURKBNOTUMHDAC3
Hydrochloric Acid SCHEMBL16754672 0.89 HDAC3 (0.40) AURKAALKAURKBNOTUMHDAC3
SCHEMBL16238397 0.88 AURKA (0.37) AURKAALKAURKBKDM1ANOTUM
SCHEMBL17601537 0.88 AURKA (0.38) AURKAALKAURKBNOTUMGPR142
SCHEMBL19865067 0.87 NOTUM (0.47) AURKAALKAURKBNOTUMGPR142
SCHEMBL17618783 0.84 MEN1 (0.47) MEN1ALDH1A1KMT2AMAPTIDH2
SCHEMBL17618348 0.84 IDH2 (0.45) MEN1ALDH1A1KMT2AMAPTIDH2

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 11 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
EP-2997029-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2019-01-09 — — EP disclosed
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — 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
EP-3221312-A2 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline LLC (US) 2017-09-27 — — EP disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
WO-2016081692-A2 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-26 — — WO disclosed
EP-2997029-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline LLC (US) 2016-03-23 — — EP disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
WO-2014186313-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-11-20 — — WO 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 (4 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 AURKA 1915/4885ALK 4875/4885AURKB 867/4885
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 AURKA 2147/4885ALK 4876/4885AURKB 887/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 AURKA 1915/4885ALK 4875/4885AURKB 867/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 AURKA 1915/4885ALK 4875/4885AURKB 867/4885

“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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