SCHEMBL2693577

SCHEMBL2693577

O=C(O)c1csc(-c2cc(Cl)ccc2F)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
PTPN1 P18031 1/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 3/20 0.48
PTGER1 P34995 1/20 0.47
MAPT P10636 3/20 0.47
ATM Q13315 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMO O15229 1/20 0.46
EIF4E P06730 1/20 0.46
PRKD3 O94806 1/20 0.45
PRKCG P05129 1/20 0.45
PRKCB P05771 1/20 0.45
IL1R1 P14778 1/20 0.45
PRKCA P17252 1/20 0.45
TNFRSF1A P19438 1/20 0.45

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
SCHEMBL15608763 0.93 KMO (0.55) ACHEPTPN1ALDH1A1KDM4EPTGER1
SCHEMBL15608619 0.86 ACHE (0.51) ACHEPTPN1ALDH1A1KDM4EPTGER1
SCHEMBL25232369 0.86 EIF4E (0.52) ACHEALDH1A1KDM4EPTGER1MAPT
SCHEMBL9823651 0.85 CYP19A1 (0.53) ACHEALDH1A1KDM4EPTGER1MAPT
SCHEMBL2692508 0.85 ACHE (0.50) ACHEPTPN1ALDH1A1KDM4EPTGER1
SCHEMBL2693532 0.84 ALDH1A1 (0.61) ACHEPTPN1ALDH1A1KDM4EPTGER1
SCHEMBL11046619 0.84 CYP19A1 (0.52) ACHEALDH1A1KDM4EPTGER1MAPT
SCHEMBL11046608 0.84 CYP19A1 (0.52) ACHEALDH1A1KDM4EPTGER1MAPT
SCHEMBL15608600 0.84 ACHE (0.49) ACHEPTPN1ALDH1A1KDM4EMAPT
SCHEMBL22637490 0.83 PRKD3 (0.62) ACHEALDH1A1KDM4ENPSR1EIF4E

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 28 patents — showing the first 20. 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
EP-3119775-B1 OXEPAN-2-YL-PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2019-11-06 EP disclosed
EP-3119775-B1 OXEPAN-2-YL-PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2019-11-06 EP disclosed
US-9963446-B2 Oxepan-2-yl-pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2018-05-08 US disclosed
US-9963446-B2 Oxepan-2-yl-pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2018-05-08 US disclosed
US-9963446-B2 Oxepan-2-yl-pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2018-05-08 US disclosed
US-9931323-B2 Cyclic ether pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2018-04-03 US disclosed
US-9931323-B2 Cyclic ether pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2018-04-03 US disclosed
US-9931323-B2 Cyclic ether pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2018-04-03 US disclosed
US-20170001997-A1 OXEPAN-2-YL-PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2017-01-05 US disclosed
WO-2015140189-A1 OXEPAN-2-YL-PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-09-24 WO 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
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
US-20140088117-A1 CYCLIC ETHER PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-03-27 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
EP-2596790-A1 Pim kinase inhibitors and methods of their use Novartis AG (CH) 2013-05-29 EP 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 4723/4885PTPN1 581/4885ALDH1A1 1386/4885
US-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 ACHE 4723/4885PTPN1 581/4885ALDH1A1 1386/4885
US-20170001997-A1 OXEPAN-2-YL-PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 ACHE 4657/4885PTPN1 1226/4885ALDH1A1 2155/4885
US-20140088117-A1 CYCLIC ETHER PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 ACHE 4812/4885PTPN1 920/4885ALDH1A1 3026/4885

“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.