SCHEMBL1246822

SCHEMBL1246822

FC(F)(F)c1ccc2n[c][nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 6/20 0.44
KIF11 P52732 5/20 0.43
METAP2 P50579 1/20 0.43
DGAT1 O75907 3/20 0.42
KCNH2 Q12809 3/20 0.42
DYRK1A Q13627 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
CBFB Q13951 1/20 0.40
BACE1 P56817 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.39
SOAT1 P35610 1/20 0.38

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
SCHEMBL142611 0.85 PKM (0.41) NPBWR1KIF11METAP2DGAT1KCNH2
SCHEMBL11822368 0.83 SCN10A (0.47) KIF11METAP2KCNH2DYRK1ASCN10A
SCHEMBL207131 0.75 ALPL (0.41) METAP2CBFBBACE1KDM4E
SCHEMBL27847161 0.73 PDPK1 (0.44) KIF11DGAT1KCNH2
SCHEMBL207168 0.71 ALDH1A1 (0.44) METAP2DYRK1ACBFBBACE1KDM4E
SCHEMBL207428 0.71 ALDH1A1 (0.41) METAP2DYRK1ABACE1KDM4E
SCHEMBL15157341 0.70 KIF11 (0.40) KIF11METAP2KCNH2SCN10A
SCHEMBL28069113 0.70 TGFBR1 (0.43)
SCHEMBL27672328 0.69 CACNA1H (0.35) KIF11METAP2
SCHEMBL27947326 0.69 MAP4K4 (0.39) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101128452-B Novel benzimidazole derivatives and pharmaceutical compositions containing the same DAE WOONG PHARMA 2012-11-21 CN claimed
WO-2011014520-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-02-03 WO claimed
WO-2009032840-A1 FLUORINE- SUBSTITUTED 2 ', 6 ' -DIMETHYL-L-TYROSINE-1, 2,3, 4-TETRAHYDR0IS0QUIN0LINE-3-CARB0XYLIC ACID PEPTIDES (DMT-TIC) FOR USE AS MYU- AND DELTA-OPIOID RECEPTOR PROBES IN THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-03-12 WO claimed
CN-101128452-A Novel benzimidazole derivatives and pharmaceutical compositions containing the same DAE WOONG PHARMA (KR) 2008-02-20 CN claimed
CN-1871232-A Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2006-11-29 CN claimed
WO-2011014520-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-02-03 WO disclosed
CN-101842365-A The phenyl isoquinolin quinoline and the phenylquinazoline derivates that are used for the treatment of osteopathia NOVARTIS AG 2010-09-22 CN disclosed
EP-2197872-A1 PHENYLISOQUINOLINE AND PHENYLQUINAZOLINE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES Novartis Ag (CH) 2010-06-23 EP disclosed
US-20090074791-A1 Phenylisoquinoline and Phenylquinazoline Derivatives BEERLI RENE 2009-03-19 US disclosed
WO-2009027475-A1 PHENYLISOQUINOLINE AND PHENYLQUINAZOLINE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES NOVARTIS AG (CH) 2009-03-05 WO disclosed
CN-101128452-A Novel benzimidazole derivatives and pharmaceutical compositions containing the same DAE WOONG PHARMA (KR) 2008-02-20 CN disclosed
CN-1871232-A Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2006-11-29 CN 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 (1 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-20090074791-A1 Phenylisoquinoline and Phenylquinazoline Derivatives CAMK1D, CAMK1, PHPT1 NPBWR1 2442/4885KIF11 4543/4885METAP2 1816/4885

“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.