SCHEMBL2693403

SCHEMBL2693403

O=C(O)c1csc(-c2ccccc2F)n1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.63
KDM4E B2RXH2 1/20 0.57
LDHA P00338 2/20 0.55
HPGDS O60760 1/20 0.55
ALDH1A1 P00352 1/20 0.53
HTR2B P41595 1/20 0.51
PTGER1 P34995 2/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
EIF4E P06730 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL15608747 0.89 ACHE (0.55) ACHEKDM4ELDHAHPGDSALDH1A1
SCHEMBL15609061 0.86 ACHE (0.52) ACHEKDM4ELDHAHPGDSALDH1A1
SCHEMBL319326 0.85 PIM1 (0.56) ACHEKDM4EHPGDSALDH1A1PTGER1
SCHEMBL26627431 0.85 HTR2B (0.71) ACHEHTR2BHDAC1HDAC8HDAC6
SCHEMBL9823334 0.83 HTR2B (0.73) ACHEKDM4EHPGDSALDH1A1HTR2B
SCHEMBL15608619 0.82 ACHE (0.51) ACHEKDM4ELDHAHPGDSALDH1A1
SCHEMBL3542428 0.82 LDHA (0.57) ACHEKDM4ELDHAHPGDSALDH1A1
SCHEMBL3536997 0.81 ACHE (0.66) ACHEKDM4EHPGDSALDH1A1HTR2B
SCHEMBL6183496 0.81 ACHE (0.66) ACHEKDM4EHPGDSALDH1A1HTR2B
SCHEMBL2545992 0.81 ACHE (0.61) ACHEKDM4EHPGDSALDH1A1HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900657-B1 CYCLIC ETHER PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2020-03-11 EP disclosed
CN-104640858-B Cyclic ether pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use 霍夫曼-拉罗奇有限公司 2018-11-06 CN disclosed
US-9931323-B2 Cyclic ether pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2018-04-03 US disclosed
CN-103570705-B Substituted N-((1', 3'-azole-4'-yl)-methyl)-4-benzoyl-hexahydropyridine compound and applications thereof 中国医学科学院医药生物技术研究所 2017-01-25 CN disclosed
US-20160213652-A1 Cyclic Ether Pyrazol-4-YL-Heterocyclyl-Carboxamide Compounds And Methods Of Use GENENTECH, INC. (US) 2016-07-28 US disclosed
US-9328106-B2 Cyclic ether pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2016-05-03 US disclosed
EP-2900657-A1 CYCLIC ETHER PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2015-08-05 EP disclosed
CN-102924445-B PIM kinase inhibitor, preparation method thereof, and application thereof in pharmacy SHANGHAI JIKAI MEDICAL TECHNOLOGY CO LTD 2015-07-08 CN disclosed
CN-104640858-A Cyclic ether pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use HOFFMANN LA ROCHE 2015-05-20 CN disclosed
US-8829193-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-09 US disclosed
US-20140088117-A1 CYCLIC ETHER PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-03-27 US disclosed
CN-103570705-A Substituted N-((1', 3'-azole-4'-yl)-methyl)-4-benzoyl-hexahydropyridine compound and applications thereof INST MEDICINAL BIOTECHNOLOGY 2014-02-12 CN disclosed
EP-2596790-A1 Pim kinase inhibitors and methods of their use Novartis AG (CH) 2013-05-29 EP disclosed
CN-102924445-A PIM kinase inhibitor, preparation method thereof, and application thereof in pharmacy SHANGHAI JIKAI MEDICAL TECHNOLOGY CO LTD 2013-02-13 CN disclosed
US-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-09 US disclosed
US-8168794-B2 Pim kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-01 US disclosed
US-20100216839-A1 Pim kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-08-26 US 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 (4 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-20100216839-A1 Pim kinase inhibitors and methods of their use PIM1, PIM2, PIM3 ACHE 4723/4885KDM4E 1409/4885LDHA 643/4885
US-20160213652-A1 Cyclic Ether Pyrazol-4-YL-Heterocyclyl-Carboxamide Compounds And Methods Of Use PIM1, PIM2, PIM3 ACHE 4812/4885KDM4E 618/4885LDHA 1917/4885
US-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 ACHE 4723/4885KDM4E 1409/4885LDHA 643/4885
US-20140088117-A1 CYCLIC ETHER PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 ACHE 4812/4885KDM4E 618/4885LDHA 1917/4885

“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.