SCHEMBL16238556

SCHEMBL16238556

O=C(Nc1cccc(C2(C(F)(F)F)N=N2)c1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 7/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KIF18A Q8NI77 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ GRIN2B Q13224 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ RECQL P46063 1/20 0.37
▸ NPY2R P49146 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL17618579 0.95 IDH2 (0.41) IDH2MEN1KMT2AALDH1A1KIF18A
SCHEMBL17618783 0.91 MEN1 (0.47) IDH2MEN1KMT2AALDH1A1MAPT
SCHEMBL16785606 0.90 IDH2 (0.40) IDH2MEN1KMT2AALDH1A1MAPT
SCHEMBL17618348 0.88 IDH2 (0.45) IDH2MEN1KMT2AALDH1A1MAPT
SCHEMBL17618796 0.87 MEN1 (0.45) IDH2MEN1KMT2AALDH1A1MAPT
SCHEMBL17618895 0.86 KIF18A (0.35) IDH2MEN1KMT2AALDH1A1KIF18A
SCHEMBL17618820 0.86 MEN1 (0.43) IDH2MEN1KMT2AALDH1A1MAPT
SCHEMBL17618786 0.86 FYN (0.42) IDH2MEN1KMT2AALDH1A1MAPT
SCHEMBL19365411 0.86 IDH2 (0.40) IDH2MEN1KMT2AALDH1A1MAPT
SCHEMBL20632093 0.85 MEN1 (0.43) IDH2MEN1KMT2AALDH1A1MAPT

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 24 patents — showing the first 20. 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-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
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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — US 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-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-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
WO-2016081692-A2 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-26 — — WO 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
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
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
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 (5 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 IDH2 42/4885MEN1 3505/4885KMT2A 1287/4885
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IDH2 34/4885MEN1 3676/4885KMT2A 1438/4885
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IDH2 42/4885MEN1 3505/4885KMT2A 1287/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IDH2 34/4885MEN1 3676/4885KMT2A 1438/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 IDH2 34/4885MEN1 3676/4885KMT2A 1438/4885

“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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