SCHEMBL3556872

SCHEMBL3556872

CC(C)(C)OC(=O)Nc1cc(Oc2ccccc2NC(=O)OCc2ccccc2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GCK P35557 3/20 0.44
PYGL P06737 3/20 0.43
PYGM P11217 3/20 0.43
CYP2C9 P11712 1/20 0.42
PTGER1 P34995 1/20 0.42
SYK P43405 1/20 0.41
BRD4 O60885 2/20 0.41
POLB P06746 1/20 0.41
P2RX3 P56373 1/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TOP2A P11388 1/20 0.40
TOP2B Q02880 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL12992722 0.86 MAPK14 (0.48) NPC1RAB9A
SCHEMBL3556870 0.85 P2RX3 (0.50) NPC1RAB9AGCKPOLBP2RX3
SCHEMBL3555736 0.84 KDR (0.49) GCK
SCHEMBL29888248 0.82 MEN1 (0.52) NPC1RAB9AGCKCYP2C9PTGER1
SCHEMBL1193099 0.82 MEN1 (0.52) NPC1RAB9AGCKCYP2C9PTGER1
SCHEMBL19194842 0.77 NPC1 (0.47) NPC1RAB9ACYP2C9PTGER1SYK
SCHEMBL7342794 0.76 BRD4 (0.68) NPC1RAB9ACYP2C9PTGER1SYK
SCHEMBL2658559 0.76 TGFBR1 (0.52) GCKP2RX3
SCHEMBL4265599 0.76 PYGL (0.54) PYGLPYGMSYK
SCHEMBL31440184 0.75 TGFBR1 (0.49) CYP2C9PTGER1

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 6 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-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-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 NPC1 2775/4885RAB9A 425/4885GCK 1018/4885
US-20100075944-A1 NOVEL PYRIDINE DERIVATIVES AND PYRIMIDINE DERIVATIVES (3) HGF, MET, HDGF NPC1 2309/4885RAB9A 386/4885GCK 1068/4885

“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.