SCHEMBL5315312

SCHEMBL5315312

CC(=O)NCc1ccc(F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.52
BDKRB1 P46663 1/20 0.52
MAOB P27338 2/20 0.48
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
EPHX2 P34913 2/20 0.44
NOTUM Q6P988 1/20 0.44
MET P08581 1/20 0.44
PDE10A Q9Y233 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
GSK3B P49841 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RIPK1 Q13546 1/20 0.43

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
SCHEMBL4329523 0.86 CNR1 (0.45) MTNR1AMTNR1BNOTUMMETRIPK1
SCHEMBL3568253 0.84 P2RX7 (0.53) P2RX7MAOBEPHX2METNR1H4
SCHEMBL4489127 0.83 P2RX7 (0.54) P2RX7BDKRB1MTNR1B
SCHEMBL30259905 0.83 P2RX7 (0.56) P2RX7MAOBPDE10AMEN1KMT2A
SCHEMBL2831744 0.83 P2RX7 (0.56) P2RX7
SCHEMBL23482150 0.83 P2RX7 (0.56) P2RX7MAOBPDE10AMEN1KMT2A
SCHEMBL18887627 0.83 P2RX7 (0.50) P2RX7BDKRB1MAOB
SCHEMBL5317199 0.82 P2RX7 (0.49) P2RX7MAOBEPHX2METPDE10A
SCHEMBL626266 0.82 P2RX7 (0.49) P2RX7MAOBEPHX2NOTUMMET
SCHEMBL7258138 0.81 HDAC1 (0.43) P2RX7BDKRB1MTNR1AMTNR1BNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO claimed
WO-2023125825-A1 ANTICORONVIRAL COMPOUNDS AND COMPOSITIONS AND USES THEREOF SHANGHAI CUREGENE PHARMACEUTICAL CO., LTD. (CN) 2023-07-06 WO disclosed
EP-3807274-B1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER LEAD DISCOVERY CENTER GMBH (DE) 2022-07-27 EP disclosed
US-11117899-B2 [1,2,4]triazolo[1,5-c]pyrimidine derivative as A2A receptor inhibitor MEDSHINE DISCOVERY INC. (CN) 2021-09-14 US disclosed
US-11066411-B2 2021-07-20 US disclosed
EP-3265445-B1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2021-05-05 EP disclosed
US-10766860-B2 Lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2020-09-08 US disclosed
US-20200131184-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2020-04-30 US disclosed
WO-2020039060-A1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER LEAD DISCOVERY CENTER GMBH (DE) 2020-02-27 WO disclosed
EP-3613738-A1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER Lead Discovery Center GmbH (DE) 2020-02-26 EP disclosed
US-20180057458-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2018-03-01 US disclosed
US-9656962-B2 Ring-contracted morphinans and the use thereof PURDUE PHARMA L.P. (US) 2017-05-23 US disclosed
US-20160340316-A1 RING-CONTRACTED MORPHINANS AND THE USE THEREOF PURDUE PHARMA L.P. 2016-11-24 US disclosed
EP-2616469-B1 9H-PURINE COMPOUNDS AS PI3K-DELTA INHIBITORS AND METHODS FOR THEIR MANUFACTURE EXELIXIS INC (US) 2016-10-26 EP disclosed
WO-2016144702-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2016-09-15 WO disclosed
US-9346807-B2 Inhibitors of PI3K-delta and methods of their use and manufacture EXELIXIS, INC. (US) 2016-05-24 US disclosed
US-20140058103-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-02-27 US disclosed
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 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 (7 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-20140058103-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture PIK3CD, PIK3CA, PIK3R5 P2RX7 2340/4885BDKRB1 2332/4885MAOB 3408/4885
US-11117899-B2 [1,2,4]triazolo[1,5-c]pyrimidine derivative as A2A receptor inhibitor ADORA2A, ADORA1, ADORA3 P2RX7 32/4885BDKRB1 49/4885MAOB 174/4885
US-11066411-B2 ADORA2A, ADORA1, ADORA2B P2RX7 110/4885BDKRB1 39/4885MAOB 288/4885
US-20200131184-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR ADORA2A, ADORA1, ADORA3 P2RX7 32/4885BDKRB1 49/4885MAOB 174/4885
US-20160340316-A1 RING-CONTRACTED MORPHINANS AND THE USE THEREOF OPRM1, OPRL1, OPRK1 P2RX7 471/4885BDKRB1 126/4885MAOB 374/4885
US-10766860-B2 Lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX P2RX7 2605/4885BDKRB1 2364/4885MAOB 62/4885
US-20180057458-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX P2RX7 2605/4885BDKRB1 2364/4885MAOB 62/4885

“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.