SCHEMBL6136932

SCHEMBL6136932

Oc1cccnc1Sc1cccc(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
KDM4E B2RXH2 4/20 0.68
HPGD P15428 4/20 0.68
KMT2A Q03164 4/20 0.68
MEN1 O00255 3/20 0.68
POLB P06746 1/20 0.49
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GRM5 P41594 1/20 0.45
MAPT P10636 3/20 0.44
PPP1CA P62136 1/20 0.44
GAA P10253 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
EGFR P00533 1/20 0.43
LCK P06239 1/20 0.43
LMNA P02545 1/20 0.42
FBP1 P09467 1/20 0.41

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
SCHEMBL6136798 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL6136858 0.82 GRM5 (0.46) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL8125018 0.81 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL6136801 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL6136756 0.79 SMN1; SMN2 (0.49) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL6136952 0.77 P4HB (0.47) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL6136781 0.77 TLR7 (0.49) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL11080609 0.75 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL6136859 0.73 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL28016296 0.73 SLC6A2 (0.54) ALDH1A1KDM4EHPGDKMT2AMEN1

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 7 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
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 ALDH1A1 676/4885KDM4E 1694/4885HPGD 187/4885
US-20030195232-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor NOX1, CYP4A11, PDE12 ALDH1A1 676/4885KDM4E 1694/4885HPGD 187/4885

“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.