SCHEMBL1727414

SCHEMBL1727414

Nc1ccc(Oc2ccnc(N(C(=O)Oc3ccccc3)C(=O)Oc3ccccc3)c2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 4/20 0.36
GCK P35557 3/20 0.36
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FAAH O00519 4/20 0.34
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MAPK14 Q16539 1/20 0.33
NPY5R Q15761 1/20 0.33
BRAF P15056 1/20 0.32
EGFR P00533 1/20 0.32
BTK Q06187 1/20 0.32

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
SCHEMBL27765633 0.96 CDK8 (0.35) CDK8GCKATMTDP1L3MBTL1
SCHEMBL3556176 0.86 MAOA (0.45) GCKATMTDP1L3MBTL1FAAH
SCHEMBL27724978 0.85 ATM (0.36) CDK8GCKATMTDP1L3MBTL1
SCHEMBL3552349 0.82 MET (0.40) GCKBRAF
SCHEMBL12280370 0.80 CYP1A2 (0.36) GCKATMTDP1L3MBTL1EGFR
SCHEMBL28012733 0.79 MAPK14 (0.37) GCKMAPK14BRAF
SCHEMBL1726338 0.77 NPC1 (0.44) MAPK14
SCHEMBL3557679 0.77 KDR (0.42) CDK8MAPK14BRAF
SCHEMBL3552928 0.76 MET (0.45) MAPK14BRAF
SCHEMBL3556443 0.76 MET (0.47) MAPK14BRAFEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1889836-B1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (3) EISAI R&D MAN CO LTD (JP) 2013-06-12 EP disclosed
US-8377938-B2 Phenoxypyridine derivative salts and crystals thereof, and process for preparing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-02-19 US disclosed
US-8288538-B2 Pyridine derivatives and pyrimidine derivatives (3) EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-10-16 US disclosed
US-20120232049-A1 PYRIDINE OR PYRIMIDINE DERIVATIVE HAVING EXCELLENT CELL GROWTH INHIBITION EFFECT AND EXCELLENT ANTI-TUMOR EFFECT ON CELL STRAIN HAVING AMPLIFICATION OF HGFR GENE EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-13 US disclosed
WO-2009142896-A3 LANDSCAPE EDGING SYSTEM WINK JOHN (US) 2012-05-10 WO disclosed
CN-101198590-B pyridine derivative and pyrimidine derivative (3) EISAI R&D MAN CO LTD 2012-05-09 CN disclosed
EP-2062886-B1 SALT OF PHENOXYPYRIDINE DERIVATIVE OR CRYSTAL THEREOF AND PROCESS FOR PRODUCING THE SAME EISAI R&D MAN CO LTD (JP) 2011-11-30 EP disclosed
US-7855290-B2 N-[4-({2-[({4-[2-(Dimethylamino)ethyl]piperazin-1-yl}carbonyl)amino]pyridin-4-yl}oxy)-2-fluorophenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; hepatocyte growth factor receptor (HGFR) inhibitors; antitumor, -carcinogenic, -metastasis agents EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-21 US disclosed
US-20100075944-A1 NOVEL PYRIDINE DERIVATIVES AND PYRIMIDINE DERIVATIVES (3) MATSUSHIMA TOMOHIRO 2010-03-25 US disclosed
EP-2119706-A1 PYRIDINE OR PYRIMIDINE DERIVATIVE HAVING EXCELLENT CELL GROWTH INHIBITION EFFECT AND EXCELLENT ANTI-TUMOR EFFECT ON CELL STRAIN HAVING AMPLIFICATION OF HGFR GENE Eisai R&D Management Co., Ltd. (JP) 2009-11-18 EP disclosed
EP-2062886-A1 SALT OF PHENOXYPYRIDINE DERIVATIVE OR CRYSTAL THEREOF AND PROCESS FOR PRODUCING THE SAME Eisai R&D Management Co., Ltd. (JP) 2009-05-27 EP disclosed
US-20080318924-A1 PHENOXYPYRIDINE DERIVATIVE SALTS AND CRYSTALS THEREOF, AND PROCESS FOR PREPARING THE SAME EISAI R&D MANAGEMENT CO., LTD (JP) 2008-12-25 US disclosed
US-20080319188-A1 Novel pyridine derivatives and pyrimidine derivatives (3) EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-25 US disclosed
CN-101198590-A Novel pyridine derivative and pyrimidine derivative (3) EISAI R&D MAN CO LTD (JP) 2008-06-11 CN disclosed
EP-1889836-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (3) Eisai R&D Management Co., Ltd. (JP) 2008-02-20 EP 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-20080318924-A1 PHENOXYPYRIDINE DERIVATIVE SALTS AND CRYSTALS THEREOF, AND PROCESS FOR PREPARING THE SAME HGF, MET, FLT1 CDK8 2308/4885GCK 726/4885ATM 4310/4885
US-20120232049-A1 PYRIDINE OR PYRIMIDINE DERIVATIVE HAVING EXCELLENT CELL GROWTH INHIBITION EFFECT AND EXCELLENT ANTI-TUMOR EFFECT ON CELL STRAIN HAVING AMPLIFICATION OF HGFR GENE HGF, MET, MKI67 CDK8 957/4885GCK 1217/4885ATM 2069/4885
US-20080319188-A1 Novel pyridine derivatives and pyrimidine derivatives (3) HGF, MET, FLT4 CDK8 1598/4885GCK 1018/4885ATM 3974/4885
US-20100075944-A1 NOVEL PYRIDINE DERIVATIVES AND PYRIMIDINE DERIVATIVES (3) HGF, MET, HDGF CDK8 1879/4885GCK 1068/4885ATM 4008/4885

“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.