SCHEMBL3556870

SCHEMBL3556870

CC(C)(C)OC(=O)Nc1cc(Oc2ccc(NC(=O)OCc3ccccc3)cc2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.50
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GCK P35557 1/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK14 Q16539 1/20 0.44
TOP2A P11388 1/20 0.44
TOP2B Q02880 1/20 0.44
LTA4H P09960 1/20 0.44
KDR P35968 2/20 0.44
BRAF P15056 1/20 0.44
ROCK2 O75116 1/20 0.43

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
SCHEMBL3555736 0.87 KDR (0.49) GCKKDRBRAF
SCHEMBL12992722 0.87 MAPK14 (0.48) NPC1RAB9AMAPK14KDRBRAF
SCHEMBL3556872 0.85 NPC1 (0.46) P2RX3POLBMEN1KMT2AGCK
SCHEMBL29888248 0.83 MEN1 (0.52) P2RX3MEN1KMT2AGCKNPC1
SCHEMBL1193099 0.83 MEN1 (0.52) P2RX3MEN1KMT2AGCKNPC1
SCHEMBL7043026 0.82 POLB (0.62) TP53MAPTPOLBMEN1KMT2A
SCHEMBL3553761 0.80 POLB (0.56) P2RX3TP53MAPTPOLBNPC1
SCHEMBL3550168 0.80 TP53 (0.59) TP53MAPTPOLBNPC1RAB9A
SCHEMBL2987817 0.77 RAB9A (0.74) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3546783 0.77 GCK (0.48) P2RX3GCKBRAF

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 14 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-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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20080319188-A1 Novel pyridine derivatives and pyrimidine derivatives (3) HGF, MET, FLT4 P2RX3 250/4885TP53 276/4885MAPT 4470/4885
US-20100075944-A1 NOVEL PYRIDINE DERIVATIVES AND PYRIMIDINE DERIVATIVES (3) HGF, MET, HDGF P2RX3 235/4885TP53 282/4885MAPT 4448/4885

“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.