SCHEMBL1069183

SCHEMBL1069183

CCOc1ccc(F)c(B(O)O)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
FGFR2 P21802 1/20 0.38
KDM1A O60341 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL29952385 1.00 L3MBTL1 (0.39) L3MBTL1FGFR2KDM1AALDH1A1HTT
SCHEMBL4885889 0.87 L3MBTL1 (0.42) L3MBTL1FGFR2KDM1AALDH1A1HTT
SCHEMBL29951562 0.86 MAPT (0.37) L3MBTL1ALDH1A1HTTHPGDPDE4D
SCHEMBL6522773 0.86 MAPT (0.37) L3MBTL1ALDH1A1HTTHPGDPDE4D
SCHEMBL29955291 0.86 L3MBTL1 (0.39) L3MBTL1FGFR2KDM1AALDH1A1HTT
SCHEMBL6523780 0.85 CYP1A2 (0.38) L3MBTL1ALDH1A1CYP1A2CYP2C19TDP1
SCHEMBL29954273 0.83 TSHR (0.39) L3MBTL1FGFR2KDM1AALDH1A1HTT
SCHEMBL16668301 0.83 TSHR (0.39) L3MBTL1FGFR2KDM1AALDH1A1HTT
SCHEMBL16687403 0.83 HPGD (0.41) L3MBTL1KDM1AALDH1A1HTTTSHR
SCHEMBL425604 0.79 L3MBTL1 (0.38) L3MBTL1FGFR2KDM1AALDH1A1TSHR

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 26 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
US-9931323-B2 Cyclic ether pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2018-04-03 US 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
US-9255072-B2 Pyrazole compounds and thiazole compounds as protein kinases inhibitors National Health Rsearch Institutes (TW) 2016-02-09 US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
EP-2475659-B1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2015-10-28 EP 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-20120225880-A1 PYRAZOLE COMPOUNDS AND THIAZOLE COMPOUNDS AS PROTEIN KINASES INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2012-09-06 US disclosed
US-20120225062-A1 NOVEL KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-09-06 US disclosed
EP-2475659-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2012-07-18 EP disclosed
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP disclosed
WO-2011029802-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO disclosed
US-20110059961-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-03-10 US disclosed
EP-2274297-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-19 EP disclosed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 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 (6 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-20120225880-A1 PYRAZOLE COMPOUNDS AND THIAZOLE COMPOUNDS AS PROTEIN KINASES INHIBITORS FLT4, AURKB, AURKA L3MBTL1 2790/4885FGFR2 414/4885KDM1A 2734/4885
US-20120225062-A1 NOVEL KINASE INHIBITORS PIM1, PIM2, PIM3 L3MBTL1 2138/4885FGFR2 1282/4885KDM1A 455/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 L3MBTL1 4393/4885FGFR2 2180/4885KDM1A 4657/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 L3MBTL1 4431/4885FGFR2 3031/4885KDM1A 1764/4885
US-20160213652-A1 Cyclic Ether Pyrazol-4-YL-Heterocyclyl-Carboxamide Compounds And Methods Of Use PIM1, PIM2, PIM3 L3MBTL1 1178/4885FGFR2 1044/4885KDM1A 902/4885
US-20110059961-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM3, PIM2 L3MBTL1 2868/4885FGFR2 343/4885KDM1A 374/4885

“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.