SCHEMBL6809627

SCHEMBL6809627

CC(=O)c1c(C)sc(-c2ccncc2)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.53
CSNK1D P48730 1/20 0.53
CLK2 P49760 1/20 0.53
CSNK1G1 Q9HCP0 1/20 0.53
MAPK14 Q16539 3/20 0.43
ROCK1 Q13464 1/20 0.41
KDM4E B2RXH2 4/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALDH1A1 P00352 5/20 0.39
GRM6 O15303 4/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 3/20 0.37
GRM5 P41594 1/20 0.37
CDC7 O00311 2/20 0.36

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
SCHEMBL6809073 0.88 CSNK1A1 (0.54) CSNK1A1CSNK1DCLK2CSNK1G1MAPK14
SCHEMBL6805884 0.83 GRM6 (0.49) CSNK1A1CSNK1DCLK2CSNK1G1MAPK14
SCHEMBL6804421 0.80 MAPK14 (0.58) CSNK1A1CSNK1DCLK2CSNK1G1MAPK14
SCHEMBL7842445 0.80 ROCK1 (0.49) CSNK1A1CSNK1DCLK2CSNK1G1MAPK14
SCHEMBL7835998 0.80 CSNK1A1 (0.47) CSNK1A1CSNK1DCLK2CSNK1G1MAPK14
SCHEMBL17518433 0.80 GRM6 (0.52) MAPK14KDM4EMAPTALDH1A1GRM6
Hydrochloric Acid SCHEMBL6805136 0.79 ROCK1 (0.48) CSNK1A1CSNK1DCLK2CSNK1G1MAPK14
SCHEMBL6804787 0.79 BRD4 (0.48) CSNK1A1CSNK1DCLK2CSNK1G1MAPK14
SCHEMBL7847013 0.78 GRM6 (0.51) CSNK1A1CSNK1DCLK2CSNK1G1KDM4E
SCHEMBL7844049 0.78 KIF11 (0.47) CSNK1A1CSNK1DCLK2CSNK1G1MAPK14

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 CSNK1A1 1210/4885CSNK1D 1471/4885CLK2 4221/4885
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds MC2R, CRHR1, NR3C2 CSNK1A1 1218/4885CSNK1D 1422/4885CLK2 4175/4885

“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.