SCHEMBL6136740

SCHEMBL6136740

COCOc1cnccc1CCCO

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
LOX P28300 1/20 0.33
AOC3 Q16853 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.31
POLB P06746 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
GCK P35557 1/20 0.31
TNKS2 Q9H2K2 1/20 0.30
CYP4A11 Q02928 1/20 0.30
BUB1 O43683 1/20 0.30

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
SCHEMBL3644242 0.91 MEN1 (0.36) MEN1KMT2ACYP11B1CYP11B2AOC3
SCHEMBL31139331 0.84 CYP11B1 (0.41) CYP11B1CYP11B2AOC3PDE4APDE4B
SCHEMBL31561722 0.84 MEN1 (0.40) MEN1KMT2ACYP11B1CYP11B2POLB
SCHEMBL16791932 0.80 MEN1 (0.39) MEN1KMT2ACYP11B1CYP11B2LOX
SCHEMBL27512092 0.78 CYP11B1 (0.33) CYP11B1CYP11B2AOC3
SCHEMBL6136676 0.76 S1PR4 (0.40) MEN1KMT2ACYP11B1CYP11B2PDE4A
SCHEMBL6136867 0.76 PDE4A (0.43) MEN1KMT2ACYP11B1CYP11B2PDE4A
SCHEMBL14092093 0.76 CYP2D6 (0.41) MEN1KMT2ALOXAOC3PTGDR2
SCHEMBL6136931 0.75 CYP4F2 (0.45) CYP4A11
SCHEMBL6136961 0.74 MEN1 (0.39) MEN1KMT2APOLBPDE4APDE4B

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 9 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
CN-1328547-A 2,3-Disubstituted pyridine derivatives, process for preparation thereof, drug compositions containing the same and intermediates for preparation DAINIPPON PHARMACEUTICAL CO (JP) 2001-12-26 CN 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 MEN1 3856/4885KMT2A 1966/4885CYP11B1 18/4885
US-20030195232-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor NOX1, CYP4A11, PDE12 MEN1 3856/4885KMT2A 1966/4885CYP11B1 18/4885

“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.