SCHEMBL456915

SCHEMBL456915

O=C(O)c1cccnc1OCC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 2/20 0.50
KDM4E B2RXH2 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
HCRTR2 O43614 10/20 0.48
HCRTR1 O43613 8/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 2/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.47
AGER Q15109 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DHODH Q02127 2/20 0.44
MEN1 O00255 1/20 0.44
GMNN O75496 1/20 0.44
TTR P02766 1/20 0.44

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
SCHEMBL30919007 1.00 NAPRT (0.50) NAPRTKDM4ETDP1HCRTR2HCRTR1
SCHEMBL28314178 0.89 HCRTR2 (0.49) HCRTR2HCRTR1LMNA
SCHEMBL4263055 0.86 RAB9A (0.51) KDM4EHCRTR2HCRTR1ALDH1A1
SCHEMBL17859342 0.86 HCRTR2 (0.51) HCRTR2HCRTR1TSHRLMNA
SCHEMBL29686939 0.86 RAB9A (0.51) KDM4EHCRTR2HCRTR1ALDH1A1
SCHEMBL24518039 0.86 NAPRT (0.49) NAPRTKDM4ETDP1HCRTR2HCRTR1
SCHEMBL28816041 0.84 NPC1 (0.51) HCRTR2HCRTR1L3MBTL1ALDH1A1MAPT
SCHEMBL22235655 0.83 TDP1 (0.57) TDP1HCRTR2HCRTR1L3MBTL1ALDH1A1
SCHEMBL19599247 0.83 HCRTR2 (0.52) KDM4EHCRTR2HCRTR1LMNASMN1; SMN2
SCHEMBL19564482 0.82 HCRTR2 (0.47) HCRTR2HCRTR1LMNA

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 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220089592-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS BIOGEN MA INC. 2022-03-24 US disclosed
US-20220089592-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS BIOGEN MA INC. 2022-03-24 US disclosed
CN-109988169-B Octahydropyrrolo [3,4-c ] pyrrole derivatives and uses thereof 广东东阳光药业有限公司 2022-02-01 CN disclosed
EP-3911652-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS Biogen MA Inc. (US) 2021-11-24 EP disclosed
WO-2020150626-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS BIOGEN MA INC. (US) 2020-07-23 WO disclosed
WO-2020150626-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS BIOGEN MA INC. (US) 2020-07-23 WO disclosed
US-10435398-B2 Oxazole orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2019-10-08 US disclosed
CN-109988169-A Octahydro pyrrolo- [3,4-c] azole derivatives and application thereof 广东东阳光药业有限公司 2019-07-09 CN disclosed
CN-109988171-A Octahydro pyrrolo- [3,4-c] azole derivatives and application thereof 广东东阳光药业有限公司 2019-07-09 CN disclosed
US-10308645-B2 Piperidine oxadiazole and thiadiazole orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2019-06-04 US disclosed
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP disclosed
WO-2015095111-A1 DIAZEPANE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
WO-2015095111-A1 DIAZEPANE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
CN-104520296-A Pyrrolopyridinone derivatives as TTX-S blockers RAQUALIA PHARMA INC 2015-04-15 CN disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US disclosed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 US disclosed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 US disclosed
CN-103249721-A Arylamine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC 2013-08-14 CN disclosed
EP-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 EP disclosed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 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-20150025057-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 NAPRT 2167/4885KDM4E 3067/4885TDP1 4176/4885
US-10435398-B2 Oxazole orexin receptor antagonists HCRTR2, HCRTR1, OXTR NAPRT 1683/4885KDM4E 2264/4885TDP1 4549/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 NAPRT 2167/4885KDM4E 3067/4885TDP1 4176/4885
US-20220089592-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK2, IRAK1 NAPRT 2816/4885KDM4E 104/4885TDP1 796/4885
US-10308645-B2 Piperidine oxadiazole and thiadiazole orexin receptor antagonists HCRTR2, HCRTR1, OXTR NAPRT 1255/4885KDM4E 2336/4885TDP1 4315/4885

“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.