SCHEMBL6714960

SCHEMBL6714960

O=S(=O)(Nc1ccc(C2=NCCc3ccccc32)cc1)c1c(F)cccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
MAOA P21397 1/20 0.40
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA7 P43166 4/20 0.37
CA9 Q16790 4/20 0.37
CA14 Q9ULX7 4/20 0.37
SGK1 O00141 2/20 0.37
PTPN2 P17706 2/20 0.35
PTPN1 P18031 2/20 0.35
PTPN5 P54829 2/20 0.35
SLC40A1 Q9NP59 1/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK10 P53779 1/20 0.34
HSPD1 P10809 1/20 0.34
HSPE1 P61604 1/20 0.34
TYK2 P29597 1/20 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
SCHEMBL6714999 0.89 PKM (0.44) PKMMAOACA1CA2SLC40A1
SCHEMBL6724815 0.87 PKM (0.43) PKMCA1CA2CA7CA9
SCHEMBL6718620 0.86 CA1 (0.43) PKMCA1CA2CA7CA9
SCHEMBL6716531 0.83 LMNA (0.46) PKMCA1CA2CA7CA9
SCHEMBL6715194 0.79 HPGD (0.52) ALDH1A1GAAMAPT
SCHEMBL6724974 0.79 ITGA1 (0.47) CA1CA2CA7CA9CA14
SCHEMBL6721167 0.78 CA1 (0.36) MAOACA1CA2CA7CA9
SCHEMBL6717738 0.78 MAPK10 (0.43) PKMMAPK10GAA
SCHEMBL6716620 0.78 NR3C1 (0.53) PTPN2PTPN1PTPN5HSPD1HSPE1
SCHEMBL6716845 0.78 GSPT1 (0.46) PTPN2PTPN1PTPN5SLC40A1MAPT

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 PKM 1869/4885MAOA 532/4885CA1 3607/4885

“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.