SCHEMBL4420000

SCHEMBL4420000

Oc1cc(C(F)(F)F)nc2ccc(F)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 4/20 0.49
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
KDM4E B2RXH2 3/20 0.41
CDK8 P49336 1/20 0.39
CLK2 P49760 1/20 0.39
ACVR1 Q04771 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
POLB P06746 3/20 0.39
LMNA P02545 1/20 0.39
DHODH Q02127 6/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
MPO P05164 1/20 0.38
MAPT P10636 1/20 0.38
GAA P10253 1/20 0.37
NR2F2 P24468 1/20 0.37

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
SCHEMBL2712104 0.83 KDM4E (0.49) NT5EADORA2AADORA1KDM4EPOLB
SCHEMBL23716945 0.81 ADRB2 (0.55) NT5EADORA2AADORA1KDM4ECDK8
SCHEMBL4214227 0.81 NT5E (0.69) NT5EADORA2AADORA1KDM4EPOLB
SCHEMBL11828378 0.81 NT5E (0.51) NT5EADORA2AADORA1KDM4ECDK8
SCHEMBL1536339 0.81 NT5E (0.70) NT5EADORA2AADORA1KDM4ECDK8
SCHEMBL3823152 0.79 NT5E (0.49) NT5EKDM4EALDH1A1KMT2AMPO
SCHEMBL28019418 0.79 NT5E (0.56) NT5EADORA2AADORA1KDM4EPOLB
SCHEMBL11669211 0.79 DHODH (0.56) NT5ECDK8CLK2ACVR1CLK4
SCHEMBL2425907 0.79 ADORA2A (0.58) NT5EADORA2AADORA1POLBLMNA
SCHEMBL2854016 0.78 IGF1R (0.48) NT5EADORA2AADORA1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4055014-B1 PYRROLIDINE AND PIPERIDINE COMPOUNDS YUHAN CORP (KR) 2025-04-30 EP disclosed
CN-114867719-B Pyrrolidine and piperidine compounds 柳韩洋行 2024-06-25 CN disclosed
US-11655235-B2 Pyrrolidine and piperidine compounds YUHAN CORPORATION (KR) 2023-05-23 US disclosed
EP-4055014-A1 PYRROLIDINE AND PIPERIDINE COMPOUNDS Yuhan Corporation (KR) 2022-09-14 EP disclosed
CN-114867719-A Pyrrolidine and piperidine compounds 柳韩洋行 2022-08-05 CN disclosed
US-20210147386-A1 PYRROLIDINE AND PIPERIDINE COMPOUNDS YUHAN CORPORATION (KR) 2021-05-20 US disclosed
US-9566284-B2 Agents and methods for treating ischemic and other diseases NONO INC. (CA) 2017-02-14 US disclosed
US-9566284-B2 Agents and methods for treating ischemic and other diseases NONO INC. (CA) 2017-02-14 US disclosed
US-9334256-B2 Agents and methods for treating ischemic and other diseases NONO INC. (CA) 2016-05-10 US disclosed
US-20140235619-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES NONO INC. (CA) 2014-08-21 US disclosed
US-20140221423-A1 Agents And Methods For Treating Ischemic And Other Diseases NONO INC. (CA) 2014-08-07 US disclosed
US-20110251182-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES NONO, INC. (CA) 2011-10-13 US disclosed
US-20110251182-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES NONO, INC. (CA) 2011-10-13 US disclosed
US-20090216014-A1 NOVEL COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS EXONHIT THERAPEUTICS SA (FR) 2009-08-27 US disclosed
US-7514432-B2 Compounds and methods of treating cell proliferative diseases, retinopathies and arthritis EXONHIT THERAPEUTICS SA (FR) 2009-04-07 US disclosed
US-20060183749-A1 Novel compounds and methods of treating cell proliferative diseases, retinopathies and arthritis EXONHIT THERAPEUTICS SA (FR) 2006-08-17 US disclosed
EP-1597253-B1 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS EXONHIT THERAPEUTICS SA (FR) 2006-08-09 EP disclosed
EP-1597253-A2 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS Exonhit Therapeutics S.A. (FR) 2005-11-23 EP disclosed
EP-1471063-A1 Compounds and methods of treating cell proliferative diseases, retinopathies and arthritis Exonhit Therapeutics S.A. (FR) 2004-10-27 EP disclosed
WO-2004076445-A2 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS EXONHIT THERAPEUTICS SA (FR) 2004-09-10 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-20110251182-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES TRPM7, TRPM8, TRPM6 NT5E 1414/4885ADORA2A 813/4885ADORA1 1919/4885
US-20090216014-A1 NOVEL COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS RB1, ALDH1A2, CDK4 NT5E 3559/4885ADORA2A 2827/4885ADORA1 3461/4885
US-20140235619-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES TRPM7, TRPM8, TRPM6 NT5E 1414/4885ADORA2A 813/4885ADORA1 1919/4885
US-11655235-B2 Pyrrolidine and piperidine compounds FAP, APC, VHL NT5E 957/4885ADORA2A 2766/4885ADORA1 3057/4885
US-20140221423-A1 Agents And Methods For Treating Ischemic And Other Diseases TRPM7, TRPM8, TRPM5 NT5E 1138/4885ADORA2A 1069/4885ADORA1 1408/4885
US-20060183749-A1 Novel compounds and methods of treating cell proliferative diseases, retinopathies and arthritis RB1, ALDH1A2, CDK4 NT5E 3559/4885ADORA2A 2827/4885ADORA1 3461/4885
US-20210147386-A1 PYRROLIDINE AND PIPERIDINE COMPOUNDS FAP, APC, VHL NT5E 957/4885ADORA2A 2766/4885ADORA1 3057/4885

“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.