SCHEMBL4430447

SCHEMBL4430447

Oc1cc(C(F)(F)F)cnn1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.34
PLAU P00749 1/20 0.34
AGBL2 Q5U5Z8 1/20 0.34
CES2 O00748 3/20 0.33
KIF11 P52732 1/20 0.33
PKM P14618 2/20 0.33
POLB P06746 1/20 0.33
EPHX2 P34913 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.32
GRM5 P41594 1/20 0.32
PTGS1 P23219 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
SCHEMBL30595875 1.00 ALDH1A1 (0.36) ALDH1A1KDM4EPLAUAGBL2CES2
SCHEMBL26818230 0.79 GABRA1 (0.41) ALDH1A1KDM4EPKMGAA
SCHEMBL27807841 0.76 ALDH1A1 (0.32) ALDH1A1KDM4EPLAUAGBL2POLB
SCHEMBL1692058 0.74 NOS3 (0.47) ALDH1A1KDM4EPLAUKIF11POLB
SCHEMBL29536855 0.74 ALDH1A1 (0.41) ALDH1A1KDM4EPLAUPKMPOLB
SCHEMBL25400832 0.74 ALDH1A1 (0.32) ALDH1A1KDM4EPLAUAGBL2POLB
SCHEMBL30177626 0.74 NOS3 (0.47) ALDH1A1KDM4EPLAUKIF11POLB
SCHEMBL3295569 0.74 ALDH1A1 (0.32) ALDH1A1KDM4EPLAUAGBL2KIF11
SCHEMBL1692045 0.74 ALDH1A1 (0.41) ALDH1A1KDM4EPLAUPKMPOLB
SCHEMBL12778685 0.74 GRM5 (0.41) ALDH1A1KDM4EPLAUAGBL2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 US disclosed
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 US disclosed
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 US disclosed
CN-116710453-A Kinase inhibitors and uses thereof 璧辰医药技术股份有限公司 2023-09-05 CN disclosed
EP-4192582-A1 KINASE INHIBITORS AND USES THEREOF ABM Therapeutics Corporation (US) 2023-06-14 EP disclosed
WO-2022032071-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORPORATION (US) 2022-02-10 WO disclosed
US-10988459-B2 Bicyclic lactams and methods of use thereof GENENTECH, INC. (US) 2021-04-27 US disclosed
EP-3760625-A1 BICYCLIC LACTAMS AS RECEPTOR-INTERACTING PROTEIN-1 (RIP1) KINASE INHIBITORS FOR TREATING E.G. INFLAMMATORY DISEASES F. Hoffmann-La Roche AG (CH) 2021-01-06 EP disclosed
WO-2017004500-A9 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-11-30 WO disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 US disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 US disclosed
WO-2017004500-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-05 WO disclosed
US-7605163-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-10-20 US disclosed
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES JOLIDON SYNESE 2008-05-22 US disclosed
US-7319099-B2 Such as 1-{3-fluoro-4-[4-(2-isopropoxy-5-methanesulfonyl benzoyl)-piperazin-1-yl]-phenyl}-ethanone for treatment of psychoses, pain, neurodegenerative disfunction in memory and learning, schizophrenia, dementia, attention deficit disorders, or Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2008-01-15 US disclosed
EP-1656361-B1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed
EP-1656361-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
US-20050209241-A1 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. 2005-09-22 US disclosed
WO-2005014563-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 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-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ERBB2, ERBB3, ERBB4 ALDH1A1 1859/4885KDM4E 1096/4885PLAU 1052/4885
US-20050209241-A1 Benzoyl-piperazine derivatives SLC1A2, SLC18A2, SLC6A7 ALDH1A1 1436/4885KDM4E 2701/4885PLAU 4793/4885
US-10988459-B2 Bicyclic lactams and methods of use thereof LSS, LPXN, CYP1B1 ALDH1A1 1195/4885KDM4E 3546/4885PLAU 2721/4885
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES SLC1A2, SLC18A2, SLC6A7 ALDH1A1 1436/4885KDM4E 2701/4885PLAU 4793/4885
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 ALDH1A1 1195/4885KDM4E 3546/4885PLAU 2721/4885

“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.