SCHEMBL6718834

SCHEMBL6718834

O=S(=O)(Nc1ccc(C2=NCCc3cc(C(F)(F)F)ccc32)cc1)c1ccc(F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 9/20 0.47
MCL1 Q07820 3/20 0.43
MAPK10 P53779 1/20 0.41
BRD4 O60885 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CCND1 P24385 1/20 0.40
CDK2 P24941 1/20 0.40
CDK7 P50613 1/20 0.40
CCNH P51946 1/20 0.40
CCNA1 P78396 1/20 0.40
CDK6 Q00534 1/20 0.40
PFKFB3 Q16875 1/20 0.39
MAP2K4 P45985 1/20 0.38

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
SCHEMBL6718381 0.96 SGK1 (0.45) SGK1MCL1MAPK10BRD4CA1
SCHEMBL6724899 0.94 SGK1 (0.48) SGK1MCL1MAPK10CA1CA2
SCHEMBL6715037 0.92 SGK1 (0.45) SGK1MCL1MAPK10BRD4CDK1
SCHEMBL6714964 0.91 SGK1 (0.49) SGK1MAPK10BRD4CA1CA2
SCHEMBL6715063 0.90 SGK1 (0.46) SGK1MCL1CA1CA2CA7
SCHEMBL6718780 0.87 SGK1 (0.47) SGK1MCL1CDK1CCNB1CCNA2
SCHEMBL6718694 0.86 PFKFB3 (0.48) SGK1MCL1MAPK10CDK1CCNB1
SCHEMBL6717898 0.86 SGK1 (0.46) SGK1MAPK10BRD4CA1CA2
SCHEMBL7181124 0.86 SGK1 (0.46) SGK1MCL1CDK1CCNB1CCNA2
SCHEMBL6724974 0.85 ITGA1 (0.47) SGK1MAPK10BRD4CA1CA2

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 SGK1 4293/4885MCL1 4558/4885MAPK10 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.