SCHEMBL6804240

SCHEMBL6804240

O=C(c1ccccc1)c1cc(-c2ccncc2)sc1-c1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.56
MAPK14 Q16539 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
JAK2 O60674 2/20 0.47
PKM P14618 1/20 0.43
KCNK3 O14649 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
PTPN5 P54829 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CDC7 O00311 2/20 0.42
DBF4 Q9UBU7 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42
IKBKB O14920 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL6808781 0.78 MAPK14 (0.47) MAPK14JAK2MAPTCDC7DBF4
SCHEMBL4197079 0.78 CDC7 (0.58) KMT2AMEN1JAK2CDC7DBF4
SCHEMBL4183491 0.78 CASP1 (0.49) JAK2NPC1MAPTRAB9ACDC7
SCHEMBL6804649 0.75 ALDH1A1 (0.51) KMT2AMEN1JAK2NPC1MAPT
SCHEMBL4264881 0.74 GAA (0.66) ADORA1KMT2AMEN1JAK2NPC1
SCHEMBL28806457 0.72 CDC7 (0.48) MAPK14KMT2AMEN1JAK2MAPT
SCHEMBL4057174 0.72 ADORA1 (1.00) ADORA1KMT2AMEN1MAPTRAB9A
SCHEMBL6804310 0.71 CDC7 (0.41) MAPK14JAK2NPC1CDC7DBF4
SCHEMBL28743858 0.71 MAPT (0.54) ADORA1KMT2AMEN1JAK2PKM
SCHEMBL3496622 0.71 MKNK1 (0.54) KMT2AMEN1JAK2NPC1MAPT

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 ADORA1 389/4885MAPK14 2453/4885KMT2A 4178/4885
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds MC2R, CRHR1, NR3C2 ADORA1 326/4885MAPK14 2723/4885KMT2A 4224/4885

“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.