SCHEMBL6804853

SCHEMBL6804853

O=C1CCCc2sc(-c3ccncc3)cc21

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 14/20 0.62
DBF4 Q9UBU7 13/20 0.62
PKN1 Q16512 1/20 0.49
PKN2 Q16513 1/20 0.49
ROCK1 Q13464 7/20 0.43
CCNE1 P24864 4/20 0.42
CDK2 P24941 4/20 0.42
PRF1 P14222 1/20 0.39
GSK3B P49841 2/20 0.37
ALDH1A1 P00352 1/20 0.35
MAPK10 P53779 1/20 0.35

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
SCHEMBL11973206 0.97 CDC7 (0.62) CDC7DBF4PKN1PKN2ROCK1
SCHEMBL3140589 0.81 PTP4A3 (0.44) CDC7DBF4ALDH1A1
SCHEMBL5209408 0.78 CDC7 (0.41) CDC7DBF4ALDH1A1
SCHEMBL16664022 0.78 CDC7 (0.39) CDC7DBF4ALDH1A1
SCHEMBL15606102 0.76 PARP10 (0.42) CDC7DBF4PRF1ALDH1A1
SCHEMBL2433167 0.75 BRD4 (0.47) ALDH1A1
SCHEMBL11973155 0.74 CDC7 (0.57) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL31435620 0.74 PLK1 (0.41) CDC7DBF4
SCHEMBL31422637 0.73 HSD17B1 (0.37) CDC7DBF4
SCHEMBL11973586 0.70 CDC7 (0.46) CDC7DBF4

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 22 patents — showing the first 20. 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-20150148334-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-05-28 US disclosed
US-20150148334-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-05-28 US disclosed
US-20150148334-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-05-28 US disclosed
US-8765746-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-8765746-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-8765746-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
EP-2627181-A2 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2013-08-21 EP disclosed
US-20120214794-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
WO-2012051410-A2 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 WO disclosed
WO-2012051410-A2 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 WO disclosed
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 (4 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-20150148334-A1 HETEROARYLS AND USES THEREOF RICTOR, AKT2, MTOR CDC7 1355/4885DBF4 3209/4885PKN1 1175/4885
US-20040142976-A1 Pyridylfuran and pyridylthiophene compounds MC2R, FCGR2A, OGFR CDC7 3294/4885DBF4 4825/4885PKN1 3987/4885
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds MC2R, CRHR1, NR3C2 CDC7 3845/4885DBF4 4825/4885PKN1 3828/4885
US-20120214794-A1 HETEROARYLS AND USES THEREOF RICTOR, AKT2, MTOR CDC7 1355/4885DBF4 3209/4885PKN1 1175/4885

“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.