SCHEMBL6804850

SCHEMBL6804850

CC1(C)CCC(=O)c2c1oc(-c1ccncc1)c2-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATAD2 Q6PL18 1/20 0.35
MAPK10 P53779 1/20 0.34
NOTUM Q6P988 1/20 0.34
BUB1 O43683 11/20 0.34

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
SCHEMBL6809044 0.83 KMT2A (0.38) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL6804354 0.80 KDM4E (0.32) BUB1
SCHEMBL6803586 0.78 NFE2L2 (0.33) ALDH1A1HPGDSMN1; SMN2NPSR1NPC1
SCHEMBL6804026 0.70 ALDH1A1 (0.33) ALDH1A1HPGDSMN1; SMN2NPSR1NPC1
SCHEMBL6803872 0.65 KMT2A (0.38) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL7486143 0.63 LRRK2 (0.39) MAPK14MAPK11NPC1
SCHEMBL7685046 0.62 CDC7 (0.51) BUB1
SCHEMBL7480513 0.61 ATM (0.41) ALDH1A1HPGDNPSR1NPC1RAB9A
SCHEMBL2494044 0.61 ALDH1A1 (0.52) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL6802902 0.60 EED (0.40) ALDH1A1HPGD

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 MAPK14 2453/4885MAPK13 2335/4885MAPK12 2241/4885
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds MC2R, CRHR1, NR3C2 MAPK14 2723/4885MAPK13 2162/4885MAPK12 2115/4885

“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.