SCHEMBL6804649

SCHEMBL6804649

COC(=O)c1cc(-c2ccncc2)sc1-c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
GAA P10253 3/20 0.51
HPGD P15428 3/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP46A1 Q9Y6A2 1/20 0.51
PKN1 Q16512 1/20 0.45
PKN2 Q16513 1/20 0.45
NR4A2 P43354 1/20 0.45
AXL P30530 1/20 0.45
CDC7 O00311 2/20 0.43
DBF4 Q9UBU7 2/20 0.43
KDM4E B2RXH2 3/20 0.43
GLA P06280 1/20 0.43
JAK2 O60674 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42

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
SCHEMBL4266992 0.84 ALDH1A1 (0.70) ALDH1A1GAAHPGDMAPTMEN1
SCHEMBL6804310 0.84 CDC7 (0.41) ALDH1A1HPGDCYP46A1CDC7DBF4
SCHEMBL6808781 0.83 MAPK14 (0.47) MAPTCDC7DBF4KDM4EJAK2
SCHEMBL28806457 0.82 CDC7 (0.48) ALDH1A1GAAHPGDMAPTMEN1
SCHEMBL4183491 0.82 CASP1 (0.49) ALDH1A1HPGDMAPTPKN1PKN2
SCHEMBL3498055 0.81 ALDH1A1 (0.58) ALDH1A1GAAHPGDMAPTMEN1
SCHEMBL4197079 0.80 CDC7 (0.58) MEN1KMT2ACDC7DBF4JAK2
SCHEMBL1564570 0.79 CHEK1 (0.60) ALDH1A1GAAHPGDMAPTMEN1
SCHEMBL3498965 0.75 ALDH1A1 (0.47) ALDH1A1GAAHPGDMAPTMEN1
SCHEMBL6804240 0.75 ADORA1 (0.56) ALDH1A1GAAHPGDMAPTMEN1

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 11 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
US-6048880-A THERAPY FOR CYTOKINE SENSITIVE DISEASES PFIZER PHARAMACEUTICALS INC. (JP) 2000-04-11 US 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 ALDH1A1 789/4885GAA 4716/4885HPGD 1176/4885
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds MC2R, CRHR1, NR3C2 ALDH1A1 729/4885GAA 4569/4885HPGD 1006/4885

“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.