SCHEMBL6718162

SCHEMBL6718162

O=S(=O)(Nc1ccc(C2=NCCc3ccccc32)cc1)c1cc(Br)c(Cl)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA7 P43166 5/20 0.40
CA9 Q16790 5/20 0.40
CA14 Q9ULX7 5/20 0.40
KIT P10721 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.36
MAPK10 P53779 3/20 0.36
MAOA P21397 1/20 0.36
ACLY P53396 1/20 0.35
RAD51 Q06609 1/20 0.35
PFKFB4 Q16877 1/20 0.35
IKBKB O14920 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
ITGA1 P56199 1/20 0.34
HSPD1 P10809 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN5 P54829 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
SCHEMBL7214739 0.90 PFKFB4 (0.43) CA1CA2CA7CA9CA14
SCHEMBL6720454 0.90 DRD2 (0.39) CA1CA2CA7CA9CA14
SCHEMBL6725387 0.87 CA1 (0.42) CA1CA2CA7CA9CA14
SCHEMBL6718296 0.87 MAPK10 (0.39) CA1CA2CA7CA9CA14
SCHEMBL6718018 0.85 CA1 (0.40) CA1CA2CA7CA9CA14
SCHEMBL6724853 0.84 MAPK10 (0.43) CA1CA2CA7CA9CA14
SCHEMBL6721167 0.83 CA1 (0.36) CA1CA2CA7CA9CA14
SCHEMBL7121467 0.83 MAPK10 (0.39) MAPK10PFKFB4TP53MAPTITGA1
SCHEMBL6720450 0.81 MAPK10 (0.40) CA1CA2CA7CA9CA14
SCHEMBL6718112 0.79 MAPK10 (0.40) MAPK10PFKFB4TP53MAPTPFKFB3

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 CA1 3607/4885CA2 841/4885CA7 299/4885

“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.