SCHEMBL263111

SCHEMBL263111

COCCOc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
PDE2A O00408 2/20 0.35
PDE10A Q9Y233 1/20 0.35
SLC5A2 P31639 1/20 0.34
UCHL1 P09936 1/20 0.34
NPC1 O15118 1/20 0.33
EGFR P00533 1/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
GAA P10253 1/20 0.33
APP P05067 1/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL31150267 1.00 KDM4E (0.37) KDM4ETDP1FFAR4PDE2APDE10A
SCHEMBL31150292 0.85 TP53 (0.40) KDM4EFFAR4PDE2APDE10AUCHL1
SCHEMBL17669409 0.84 MAOA (0.35) KDM4ETDP1UCHL1NPC1APP
SCHEMBL16991112 0.84 KMT2A (0.39) KDM4ETDP1FFAR4SLC5A2UCHL1
SCHEMBL6375712 0.83 EGFR (0.31) EGFRL3MBTL1
SCHEMBL20836394 0.82 SNCA (0.41) TDP1UCHL1EGFRALDH1A1KCNH2
SCHEMBL1642055 0.82 MAOA (0.35) KDM4ETDP1UCHL1NPC1EGFR
SCHEMBL20912200 0.81 SYK (0.34) PDE2AEGFRAPPKDRMAOA
SCHEMBL18590379 0.80 LMNA (0.34) KDM4ETDP1ALDH1A1LMNA
SCHEMBL22816789 0.78 BRD4 (0.41) PDE2AKCNH2

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
US-10383871-B2 Azetidine derivatives VERNALIS (R&D) LTD. (GB) 2019-08-20 US disclosed
US-20170196864-A1 Azetidine Derivatives VERNALIS DEVELOPMENT LIMITED (GB) 2017-07-13 US disclosed
US-20170196864-A1 Azetidine Derivatives VERNALIS DEVELOPMENT LIMITED (GB) 2017-07-13 US disclosed
US-9475800-B2 Azetidine derivatives VERNALIS (R&D) LTD. (GB) 2016-10-25 US disclosed
US-9475800-B2 Azetidine derivatives VERNALIS (R&D) LTD. (GB) 2016-10-25 US disclosed
EP-2265578-B1 AZETIDINE DERIVATIVES VERNALIS R&D LTD (GB) 2015-09-16 EP disclosed
US-20150183769-A1 Azetidine Derivatives VERNALIS DEVELOPMENT LIMITED (GB) 2015-07-02 US disclosed
US-20150183769-A1 Azetidine Derivatives VERNALIS DEVELOPMENT LIMITED (GB) 2015-07-02 US disclosed
US-9006269-B2 Azetidine derivatives VERNALIS (R&D) LTD. (GB) 2015-04-14 US disclosed
US-9006269-B2 Azetidine derivatives VERNALIS (R&D) LTD. (GB) 2015-04-14 US disclosed
US-8134007-B2 Pyridine derivatives PFIZER INC. (US) 2012-03-13 US disclosed
US-8134007-B2 Pyridine derivatives PFIZER INC. (US) 2012-03-13 US disclosed
US-8134007-B2 Pyridine derivatives PFIZER INC. (US) 2012-03-13 US disclosed
US-20120028953-A1 Azetidine Derivatives VERNALIS (R&D) LTD. (GB) 2012-02-02 US disclosed
US-20120028953-A1 Azetidine Derivatives VERNALIS (R&D) LTD. (GB) 2012-02-02 US disclosed
WO-2009109743-A1 AZETIDINE DERIVATIVES VERNALIS (R&D) LTD. (GB) 2009-09-11 WO disclosed
US-20090048306-A1 PYRIDINE DERIVATIVES PFIZER, INC. (US) 2009-02-19 US disclosed
US-20090048306-A1 PYRIDINE DERIVATIVES PFIZER, INC. (US) 2009-02-19 US disclosed
US-20090048306-A1 PYRIDINE DERIVATIVES PFIZER, INC. (US) 2009-02-19 US disclosed
WO-2008135826-A2 2 -PYRIDINE CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS PFIZER LIMITED (GB) 2008-11-13 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-20120028953-A1 Azetidine Derivatives FAAH2, FAAH, APEH KDM4E 1288/4885TDP1 3109/4885FFAR4 115/4885
US-20150183769-A1 Azetidine Derivatives FAAH2, FAAH, APEH KDM4E 1151/4885TDP1 3265/4885FFAR4 112/4885
US-20170196864-A1 Azetidine Derivatives FAAH2, FAAH, APEH KDM4E 1262/4885TDP1 3256/4885FFAR4 112/4885
US-20090048306-A1 PYRIDINE DERIVATIVES SDHA, P2RX4, P2RX3 KDM4E 2630/4885TDP1 1996/4885FFAR4 1638/4885
US-10383871-B2 Azetidine derivatives FAAH2, FAAH, APEH KDM4E 1262/4885TDP1 3256/4885FFAR4 112/4885

“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.