SCHEMBL6136755

SCHEMBL6136755

Oc1cccnc1Cc1cccc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43
MAOB P27338 4/20 0.42
PARP1 P09874 1/20 0.41
TAAR1 Q96RJ0 2/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
MAOA P21397 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP11B1 P15538 1/20 0.39
ADRA2C P18825 1/20 0.39
CYP11B2 P19099 1/20 0.39
EGFR P00533 1/20 0.39
IDO1 P14902 1/20 0.39
AGXT P21549 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
SCHEMBL6950574 0.81 PARP1 (0.41) KDM4EMEN1KMT2AHCAR2MAOB
SCHEMBL1973913 0.79 KDM4E (0.68) KDM4EALDH1A1L3MBTL1PARP1TAAR1
Hydrochloric Acid SCHEMBL31388648 0.78 KDM4E (0.71) KDM4EALDH1A1L3MBTL1PARP1TAAR1
SCHEMBL7083027 0.75 TAAR1 (0.47) MEN1KMT2AHCAR2MAOBTAAR1
SCHEMBL21609587 0.74 L3MBTL1 (0.49) KDM4EALDH1A1L3MBTL1MAOBPARP1
SCHEMBL1446035 0.74 ALDH1A1 (0.45) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL8021896 0.72 PARP1 (0.39) KDM4EALDH1A1L3MBTL1KMT2APARP1
SCHEMBL9200966 0.72 TAAR1 (0.60) ALDH1A1HCAR2MAOBTAAR1CYP11B1
SCHEMBL4853382 0.71 ALDH1A1 (0.53) KDM4EALDH1A1L3MBTL1CYP2C19HIF1A
SCHEMBL29442826 0.71 BACE1 (0.50) MEN1KMT2AMAOBTAAR1IDO1

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-1120409-B1 2,3-DISUBSTITUTED PYRIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, DRUG COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES FOR THE PREPARATION DAINIPPON PHARMACEUTICAL CO (JP) 2005-01-26 EP disclosed
CN-1173950-C 2,3-Disubstituted pyridine derivatives, process for preparation thereof, drug compositions containing the same and intermediates for preparation �ձ���ҩ��ʽ���� 2004-11-03 CN disclosed
US-6765095-B2 HETEROCYCLIC IMINES SUCH AS 2-PHENOXY-3-(3-(PYRIDIN-4-YL)-PROPOXY)PYRIDINE, FORMED BY ETHERIFICATION, AMINATION OR SULIFIDING, FOR USE AS PHOSPHODIESTERASE INHIBITORS DAINIPPON PHARMACEUTICAL COMPANY, LIMITED (JP) 2004-07-20 US disclosed
US-6683186-B2 CONDENSATION, ETHERIFICATION; PHOSPHODIESTERASE INHIBITORS; ANTIALLERGENS, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS DAINIPPON PHARMACEUTICAL COMPANY, LIMITED (JP) 2004-01-27 US disclosed
US-20030199554-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor KAWASAKI MOTOJI (JP) 2003-10-23 US disclosed
US-20030195232-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor KAWASAKI MOTOJI (JP) 2003-10-16 US disclosed
US-6555557-B1 2-(3-chlorophenoxy)-3-(3-(3-hydroxypyridin-5-yl)propoxy) -pyridine, for example; phosphodiesterase IV inhibitors DAINIPPON PHARMACEUTICAL COMPANY, LIMITED (JP) 2003-04-29 US disclosed
EP-1120409-A1 2,3-DISUBSTITUTED PYRIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, DRUG COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES FOR THE PREPARATION Dainippon Pharmaceutical Co., Ltd. (JP) 2001-08-01 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-20030199554-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor NOX1, CYP4A11, PDE12 KDM4E 1694/4885ALDH1A1 676/4885L3MBTL1 4250/4885
US-20030195232-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor NOX1, CYP4A11, PDE12 KDM4E 1694/4885ALDH1A1 676/4885L3MBTL1 4250/4885

“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.