SCHEMBL16238797

SCHEMBL16238797

Cc1nc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3C[C@@H]2[C@H](O[Si](C)(C)C(C)(C)C)C3)sc1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ ADORA2B P29275 2/20 0.32
▸ ADORA1 P30542 2/20 0.32
▸ PPARA Q07869 2/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ CRHR1 P34998 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ AR P10275 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ UCHL1 P09936 1/20 0.31

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
SCHEMBL19670165 1.00 ADORA2A (0.34) ADORA2AKDM1ACNR1CNR2SMN1; SMN2
SCHEMBL16238271 0.87 KDM1A (0.38) ADORA2AKDM1ACNR1CNR2SMN1; SMN2
SCHEMBL16775808 0.87 KDM1A (0.38) ADORA2AKDM1ACNR1CNR2SMN1; SMN2
SCHEMBL19706029 0.83 ALDH1A1 (0.37) ADORA2AKDM1ASMN1; SMN2ALDH1A1MAPT
SCHEMBL17618379 0.81 ALDH1A1 (0.39) ADORA2AKDM1ACNR1CNR2SMN1; SMN2
SCHEMBL17618497 0.81 ALDH1A1 (0.39) ADORA2AKDM1ACNR1CNR2SMN1; SMN2
SCHEMBL16775975 0.81 ALDH1A1 (0.40) ADORA2AKDM1ACNR1CNR2SMN1; SMN2
SCHEMBL17618366 0.80 IDH2 (0.38) KDM1ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL17618841 0.78 PIK3CD (0.35) CRHR1
SCHEMBL19365472 0.77 KDM1A (0.43) ADORA2AKDM1ACNR1CNR2SMN1; SMN2

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 12 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
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
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 ADORA2A 2888/4885KDM1A 891/4885CNR1 3355/4885
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ADORA2A 2325/4885KDM1A 859/4885CNR1 2946/4885
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ADORA2A 2888/4885KDM1A 891/4885CNR1 3355/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ADORA2A 2325/4885KDM1A 859/4885CNR1 2946/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ADORA2A 2325/4885KDM1A 859/4885CNR1 2946/4885

“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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