SCHEMBL16754346

SCHEMBL16754346

O=C(Nc1ccccn1)N1c2nc(-c3ccnc(C(F)(F)F)c3)ccc2N2CCC[C@H]1C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 2/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ NR3C2 P08235 1/20 0.39
▸ BTK Q06187 1/20 0.36
▸ GRM5 P41594 1/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3C3 Q8NEB9 1/20 0.34
▸ GRM2 Q14416 2/20 0.34
▸ KIT P10721 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ RPS6KB1 P23443 2/20 0.34
▸ AKT1 P31749 2/20 0.34
▸ KDM4E B2RXH2 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
SCHEMBL17778564 1.00 IDH2 (0.40) IDH2TRPV1NR3C2BTKGRM5
SCHEMBL17618458 0.95 TRPV1 (0.41) IDH2TRPV1NR3C2TRPM8CYP2C19
SCHEMBL20733227 0.91 IDH2 (0.40) IDH2NR3C2CYP2C19PIK3CAGRM2
SCHEMBL16754635 0.91 FAAH (0.42) IDH2NR3C2CYP2C19PIK3CAGRM2
SCHEMBL16754405 0.90 NR3C2 (0.38) IDH2NR3C2CYP2C19PIK3CAGRM2
SCHEMBL17778304 0.90 NR3C2 (0.38) IDH2NR3C2CYP2C19PIK3CAGRM2
SCHEMBL16754649 0.90 NR3C2 (0.38) IDH2NR3C2CYP2C19PIK3CAGRM2
SCHEMBL17618904 0.89 KDM4E (0.42) IDH2TRPV1BTKTRPM8KDM4E
SCHEMBL17769364 0.89 KDM4E (0.42) IDH2TRPV1BTKTRPM8KDM4E
SCHEMBL19365675 0.89 KDM4E (0.42) IDH2TRPV1BTKTRPM8KDM4E

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US claimed
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
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — US disclosed
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — 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-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-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
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-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
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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 (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 IDH2 34/4885TRPV1 3670/4885NR3C2 4745/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IDH2 34/4885TRPV1 3670/4885NR3C2 4745/4885
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IDH2 34/4885TRPV1 3814/4885NR3C2 4528/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 IDH2 34/4885TRPV1 3670/4885NR3C2 4745/4885

“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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