SCHEMBL6799182

SCHEMBL6799182

CC(=O)c1cc(-c2ccncc2)sc1N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
GSK3B P49841 3/20 0.46
CDK2 P24941 1/20 0.44
PRKDC P78527 1/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.43
PIK3CA P42336 2/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
AR P10275 1/20 0.41
PLOD2 O00469 1/20 0.41
PLOD3 O60568 1/20 0.41
PLOD1 Q02809 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PIK3R1 P27986 1/20 0.40
JAK2 O60674 3/20 0.40

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
SCHEMBL6798831 0.87 CDC7 (0.43) JUNNFKB1NFKB2RELAPRKDC
SCHEMBL6803709 0.86 PLOD2 (0.42) ALDH1A1PLOD2PLOD3PLOD1
SCHEMBL8080463 0.80 WDR5 (0.40) ALDH1A1PLOD2PLOD3PLOD1
SCHEMBL6842202 0.80 ALDH1A1 (0.55) JUNNFKB1NFKB2RELAPRKDC
SCHEMBL18412843 0.76 ALDH1A1 (0.51) PRKDCMAPTALDH1A1ALOX15PIK3CA
SCHEMBL6804364 0.74 PRKDC (0.48) PRKDCMAPTALDH1A1ALOX15PIK3CA
SCHEMBL18412858 0.74 PRKDC (0.48) PRKDCMAPTALDH1A1ALOX15PIK3CA
SCHEMBL6808781 0.72 MAPK14 (0.47) CDK2MAPTJAK2
SCHEMBL18412857 0.72 ALDH1A1 (0.48) PRKDCMAPTALDH1A1ALOX15PIK3CA
SCHEMBL18412859 0.72 PRKDC (0.46) PRKDCMAPTALDH1A1ALOX15PIK3CA

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 JUN 2104/4885NFKB1 1543/4885NFKB2 1846/4885
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds MC2R, CRHR1, NR3C2 JUN 2042/4885NFKB1 1914/4885NFKB2 2359/4885

“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.