SCHEMBL6724974

SCHEMBL6724974

O=S(=O)(Nc1ccc(C2=NCCc3ccccc32)cc1)c1ccc(F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGA1 P56199 3/20 0.47
SGK1 O00141 8/20 0.45
PFKFB3 Q16875 1/20 0.45
BRD4 O60885 3/20 0.44
MAPK10 P53779 1/20 0.43
FABP4 P15090 1/20 0.41
FABP5 Q01469 1/20 0.41
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL6717898 0.93 SGK1 (0.46) ITGA1SGK1PFKFB3BRD4MAPK10
SCHEMBL6714964 0.92 SGK1 (0.49) ITGA1SGK1PFKFB3BRD4MAPK10
SCHEMBL6716678 0.91 ITGA1 (0.46) ITGA1SGK1PFKFB3BRD4MAPK10
SCHEMBL6720563 0.90 PFKFB3 (0.55) ITGA1SGK1PFKFB3BRD4MAPK10
SCHEMBL6718780 0.87 SGK1 (0.47) ITGA1SGK1LMNA
SCHEMBL6718834 0.85 SGK1 (0.47) SGK1PFKFB3BRD4MAPK10CA1
SCHEMBL6715037 0.84 SGK1 (0.45) SGK1PFKFB3BRD4MAPK10LMNA
SCHEMBL6717907 0.84 PFKFB3 (0.55) ITGA1SGK1PFKFB3BRD4MAPK10
SCHEMBL6720387 0.83 PFKFB3 (0.52) ITGA1PFKFB3BRD4MAPK10FABP4
SCHEMBL6718381 0.83 SGK1 (0.45) SGK1PFKFB3BRD4MAPK10CA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818651-B2 ANTIINFLAMMATORY, ANTIASTHMATIC, SKIN, AND AUTOIMMUNE DISORDERS; CROHN*S DISEASE, ULCERATIVE COLITIS, CONJUCTIVITIS, MULTIPLE SCLEROSIS, AND RHEUMATOID ARTHRITIS; CHRONIC OBSTRUCTIVE PULMONARY DISEASE ALTANA PHARMA AG (DE) 2004-11-16 US disclosed
US-20040044212-A1 (Dihydro) Isoquinoline derivatives as phosphodiesterase inhibitors ALTANA PHARMA AG (DE) 2004-03-04 US disclosed
EP-1337515-A1 (DIHYDRO)ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2003-08-27 EP disclosed
WO-2002040450-A1 (DIHYDRO)ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS ALTANA PHARMA AG (DE) 2002-05-23 WO 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 (1 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-20040044212-A1 (Dihydro) Isoquinoline derivatives as phosphodiesterase inhibitors PDE7B, PDE3B, PDE3A ITGA1 4550/4885SGK1 4293/4885PFKFB3 2298/4885

“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.