SCHEMBL6800402

SCHEMBL6800402

CC(=O)Nc1c(C)oc(-c2ccncc2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
EPHX1 P07099 1/20 0.40
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
CLK2 P49760 1/20 0.39
CSNK1G1 Q9HCP0 1/20 0.39
MAPK14 Q16539 1/20 0.39
NR4A2 P43354 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PIK3CA P42336 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
SCHEMBL6798294 0.76 CSNK1A1 (0.53) HTTLMNAMAPK1KDM4EALDH1A1
SCHEMBL6799184 0.73 CDC7 (0.43) HTTLMNAMAPK1KDM4EALDH1A1
SCHEMBL23804715 0.71 CCNC (0.36) TSHRHTTLMNAMAPK1KDM4E
SCHEMBL15621092 0.71 MAPK14 (0.45) TSHRLMNAEPHX1KDM4EALDH1A1
SCHEMBL3728246 0.70 SMN1; SMN2 (0.76) TSHRHTTEPHX1KDM4EALDH1A1
SCHEMBL48610 0.68 TSHR (0.69) TSHRHTTEPHX1KDM4EALDH1A1
Water SCHEMBL11515613 0.67 TSHR (0.67) TSHRHTTEPHX1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL11146958 0.67 TSHR (0.67) TSHRHTTEPHX1KDM4EALDH1A1
SCHEMBL6799967 0.67 CSNK1A1 (0.49) TSHRHTTLMNAMAPK1KDM4E
Acetaminophen SCHEMBL2128715 0.66 MAPT (0.71) TSHRHTTLMNAEPHX1KDM4E

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 TSHR 22/4885HTT 3261/4885LMNA 3419/4885
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds MC2R, CRHR1, NR3C2 TSHR 15/4885HTT 2168/4885LMNA 3500/4885

“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.