SCHEMBL3552258

SCHEMBL3552258

CCN(CC)CCCN(C)C(=O)Nc1cc(Oc2ccc([N+](=O)[O-])cc2F)ccn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.41
HSPB1 P04792 1/20 0.39
ALDH1A1 P00352 3/20 0.38
PYGL P06737 2/20 0.38
PYGM P11217 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MET P08581 2/20 0.37
AXL P30530 1/20 0.37
KDR P35968 8/20 0.37
BRAF P15056 4/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL13861325 0.91 GCK (0.43) GCKHSPB1ALDH1A1PYGLPYGM
SCHEMBL4338272 0.89 GCK (0.45) GCKHSPB1ALDH1A1PYGLPYGM
SCHEMBL4326361 0.89 POLB (0.41) GCKALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL4325789 0.86 RAF1 (0.40) HSPB1ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL4321385 0.86 GCK (0.46) GCKKDR
SCHEMBL3550127 0.86 GCK (0.44) GCKMETAXLKDRBRAF
SCHEMBL4324378 0.85 GCK (0.42) GCKHSPB1ALDH1A1PYGLPYGM
SCHEMBL4338366 0.85 KDR (0.44) GCKALDH1A1METKDRBRAF
SCHEMBL4335111 0.85 GCK (0.49) GCKHSPB1ALDH1A1PYGLPYGM
SCHEMBL4328020 0.82 MET (0.58) METAXLKDRBRAF

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 24 patents — showing the first 20. 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-8288538-B2 Pyridine derivatives and pyrimidine derivatives (3) EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-10-16 US disclosed
US-8288538-B2 Pyridine derivatives and pyrimidine derivatives (3) EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-10-16 US disclosed
US-8288538-B2 Pyridine derivatives and pyrimidine derivatives (3) EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-10-16 US disclosed
EP-1719762-B1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) EISAI R&D MAN CO LTD (JP) 2012-06-27 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-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-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
US-20100075944-A1 NOVEL PYRIDINE DERIVATIVES AND PYRIMIDINE DERIVATIVES (3) MATSUSHIMA TOMOHIRO 2010-03-25 US disclosed
US-20080319188-A1 Novel pyridine derivatives and pyrimidine derivatives (3) EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-25 US disclosed
US-20080319188-A1 Novel pyridine derivatives and pyrimidine derivatives (3) 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
EP-1889836-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (3) Eisai R&D Management Co., Ltd. (JP) 2008-02-20 EP disclosed
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 US disclosed
EP-1719763-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (2) Eisai Co., Ltd. (JP) 2006-11-08 EP disclosed
EP-1719762-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) Eisai Co., Ltd. (JP) 2006-11-08 EP disclosed
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative EISAI CO., LTD. (JP) 2005-12-15 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-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) HGF, MET, FLT1 GCK 1008/4885HSPB1 773/4885ALDH1A1 557/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF GCK 872/4885HSPB1 825/4885ALDH1A1 930/4885
US-20080319188-A1 Novel pyridine derivatives and pyrimidine derivatives (3) HGF, MET, FLT4 GCK 1018/4885HSPB1 1157/4885ALDH1A1 899/4885
US-20100075944-A1 NOVEL PYRIDINE DERIVATIVES AND PYRIMIDINE DERIVATIVES (3) HGF, MET, HDGF GCK 1068/4885HSPB1 1292/4885ALDH1A1 887/4885

“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.