SCHEMBL6720563

SCHEMBL6720563

O=S(=O)(Nc1cccc(C2=NCCc3ccccc32)c1)c1ccc(F)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 2/20 0.55
ITGA1 P56199 3/20 0.45
MAPK10 P53779 1/20 0.44
BRD4 O60885 3/20 0.43
TP53 P04637 5/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
THRB P10828 1/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
USP2 O75604 1/20 0.40
PRF1 P14222 1/20 0.40
SGK1 O00141 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
SCHEMBL6717907 0.94 PFKFB3 (0.55) PFKFB3ITGA1MAPK10BRD4TP53
SCHEMBL7210296 0.93 PFKFB3 (0.56) PFKFB3ITGA1MAPK10BRD4TP53
SCHEMBL6720387 0.91 PFKFB3 (0.52) PFKFB3ITGA1MAPK10BRD4TP53
SCHEMBL6724669 0.90 PFKFB3 (0.53) PFKFB3ITGA1MAPK10BRD4TP53
SCHEMBL6724974 0.90 ITGA1 (0.47) PFKFB3ITGA1MAPK10BRD4LMNA
SCHEMBL6716447 0.87 CDK1 (0.49) PFKFB3ITGA1TP53LMNASGK1
SCHEMBL6716641 0.86 PFKFB3 (0.47) PFKFB3MAPK10TP53LMNAMAPT
SCHEMBL6718694 0.85 PFKFB3 (0.48) PFKFB3MAPK10TP53LMNAMAPT
SCHEMBL6718240 0.83 GSPT1 (0.47) ITGA1MAPK10TP53LMNAMAPT
SCHEMBL6720515 0.83 MAPK10 (0.46) PFKFB3MAPK10TP53THRBPRF1

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 PFKFB3 2298/4885ITGA1 4550/4885MAPK10 1836/4885

“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.