SCHEMBL3558624

SCHEMBL3558624

CCCOC(=O)c1cc(Cl)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
MAPT P10636 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
GABRA2 P47869 2/20 0.47
GABRB2 P47870 2/20 0.47
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA4 P48169 1/20 0.47
GABRE P78334 1/20 0.47
GABRA6 Q16445 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GABRG1 Q8N1C3 1/20 0.47
GABRG3 Q99928 1/20 0.47
GABRQ Q9UN88 1/20 0.47

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
SCHEMBL5700280 0.91 L3MBTL1 (0.52) ALDH1A1MAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL743661 0.87 L3MBTL1 (0.58) ALDH1A1MAPTL3MBTL1GABRA2GABRB2
Hydrochloric Acid SCHEMBL4217802 0.86 L3MBTL1 (0.56) ALDH1A1MAPTL3MBTL1GABRA2GABRB2
SCHEMBL162636 0.83 ALDH1A1 (0.48) ALDH1A1MAPTL3MBTL1GABRA2GABRB2
SCHEMBL8406007 0.83 JMJD6 (0.59) ALDH1A1MAPTL3MBTL1GABRA2GABRB2
SCHEMBL20267579 0.83 ALDH1A1 (0.48) ALDH1A1MAPTGABRA2GABRB2GABRP
SCHEMBL27028358 0.81 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1GABRA2GABRB2
SCHEMBL18132229 0.81 L3MBTL1 (0.50) ALDH1A1MAPTL3MBTL1SMN1; SMN2NPC1
Toluene SCHEMBL5966394 0.79 MAPT (0.49) ALDH1A1MAPTL3MBTL1GABRA2GABRB2
SCHEMBL30142073 0.78 ALDH1A1 (0.57) ALDH1A1MAPTL3MBTL1NPC1RAB9A

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 8 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
CN-101198590-B pyridine derivative and pyrimidine derivative (3) EISAI R&D MAN CO LTD 2012-05-09 CN 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
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 (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 ALDH1A1 899/4885MAPT 4470/4885L3MBTL1 2340/4885
US-20100075944-A1 NOVEL PYRIDINE DERIVATIVES AND PYRIMIDINE DERIVATIVES (3) HGF, MET, HDGF ALDH1A1 887/4885MAPT 4448/4885L3MBTL1 2610/4885

“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.