SCHEMBL6804863

SCHEMBL6804863

CC(=O)c1sc(-c2ccncc2)c(C)c1-c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CSNK1A1 P48729 1/20 0.44
CSNK1D P48730 1/20 0.44
CLK2 P49760 1/20 0.44
CSNK1G1 Q9HCP0 1/20 0.44
MAPK14 Q16539 2/20 0.43
ROCK1 Q13464 1/20 0.40
CHRNA7 P36544 1/20 0.40
CDC7 O00311 7/20 0.38
DBF4 Q9UBU7 7/20 0.38
ADORA3 P0DMS8 5/20 0.37
ADORA2B P29275 2/20 0.37
ADORA1 P30542 2/20 0.37
CHRM5 P08912 1/20 0.37

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
SCHEMBL6804339 0.87 KDM4E (0.52) KDM4EMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL6800479 0.77 CSNK1A1 (0.41) KDM4EMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL6809073 0.77 CSNK1A1 (0.54) KDM4EMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL12483998 0.76 CHRNA7 (0.58) CHRNA7
SCHEMBL6809627 0.75 CSNK1A1 (0.53) KDM4EMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL12484394 0.73 CHRNA7 (0.78) CHRNA7
SCHEMBL7835998 0.73 CSNK1A1 (0.47) KDM4EMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL6805884 0.72 GRM6 (0.49) KDM4EMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL12484103 0.71 CHRNA7 (0.59) KDM4EMAPK14CHRNA7CDC7DBF4
SCHEMBL7847013 0.71 GRM6 (0.51) KDM4EMAPTCYP1A2CYP2D6CYP2C9

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142976-A1 Pyridylfuran and pyridylthiophene compounds PFIZER INC. 2004-07-22 US claimed
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds KAWAI AKIYOSHI (JP) 2002-02-21 US claimed
EP-0853083-B1 Pyridylfuran and pyridylthiophene compounds and pharmaceutical use thereof PFIZER (US) 2001-09-12 EP claimed
EP-0853083-A1 Pyridylfuran and pyridylthiophene compounds and pharmaceutical use thereof PFIZER INC. (US) 1998-07-15 EP claimed
US-20040142976-A1 Pyridylfuran and pyridylthiophene compounds PFIZER INC. 2004-07-22 US disclosed
US-6696470-B2 FOR THERAPY OF ARTHRITIS, ASTHMA, BONE RESORPTION DISEASE, CACHEXIA, CARDIOVASCULAR DISEASE, CEREBRAL MALARIA, CROHN'S DISEASE, DIABETES, FEVER OR MYALGIA DUE TO INFECTION, GOUT, GRAFT VERSUS HOST REACTION, INFLAMMATION OF ORGANS, ETC. PFIZER INC. 2004-02-24 US disclosed
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds KAWAI AKIYOSHI (JP) 2002-02-21 US disclosed
EP-0853083-B1 Pyridylfuran and pyridylthiophene compounds and pharmaceutical use thereof PFIZER (US) 2001-09-12 EP disclosed
US-6048880-A THERAPY FOR CYTOKINE SENSITIVE DISEASES PFIZER PHARAMACEUTICALS INC. (JP) 2000-04-11 US disclosed
EP-0853083-A1 Pyridylfuran and pyridylthiophene compounds and pharmaceutical use thereof PFIZER INC. (US) 1998-07-15 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-20040142976-A1 Pyridylfuran and pyridylthiophene compounds MC2R, FCGR2A, OGFR KDM4E 4616/4885MAPT 3265/4885CYP1A2 1503/4885
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds MC2R, CRHR1, NR3C2 KDM4E 4610/4885MAPT 2662/4885CYP1A2 1329/4885

“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.