SCHEMBL6718296

SCHEMBL6718296

O=S(=O)(Nc1ccc(C2=NCCc3ccc(F)cc32)cc1)c1cc(Br)c(Cl)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.39
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA7 P43166 4/20 0.36
CA9 Q16790 4/20 0.36
CA14 Q9ULX7 4/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
KIT P10721 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2C P28335 1/20 0.34
DRD3 P35462 1/20 0.34
HTR6 P50406 1/20 0.34
PRF1 P14222 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL6725387 0.93 CA1 (0.42) MAPK10CA1CA2CA7CA9
SCHEMBL6720454 0.91 DRD2 (0.39) MAPK10CA1CA2CA7CA9
SCHEMBL6718112 0.90 MAPK10 (0.40) MAPK10TP53MAPTPRF1LMNA
SCHEMBL6718162 0.87 CA1 (0.40) MAPK10CA1CA2CA7CA9
SCHEMBL7210276 0.86 MAPK10 (0.40) MAPK10CA1CA2CA7CA9
SCHEMBL6718292 0.83 MAPK10 (0.42) MAPK10CA1CA2CA7CA9
SCHEMBL6718018 0.83 CA1 (0.40) MAPK10CA1CA2CA7CA9
SCHEMBL7121467 0.82 MAPK10 (0.39) MAPK10TP53MAPTDRD2HTR2C
SCHEMBL6717898 0.80 SGK1 (0.46) MAPK10CA1CA2CA7CA9
SCHEMBL6718466 0.80 PTPN2 (0.42) MAPK10CA1CA2CA7CA9

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 MAPK10 1836/4885CA1 3607/4885CA2 841/4885

“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.