SCHEMBL7065243

SCHEMBL7065243

O=S(=O)(Nc1cccc(C2=NCCc3cc(C(F)(F)F)ccc32)c1)c1cc(Br)c(Cl)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
PFKFB3 Q16875 1/20 0.39
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNA2 P20248 1/20 0.38
CCND1 P24385 1/20 0.38
CDK2 P24941 1/20 0.38
CDK7 P50613 1/20 0.38
CCNH P51946 1/20 0.38
CCNA1 P78396 1/20 0.38
CDK6 Q00534 1/20 0.38
PFKFB4 Q16877 3/20 0.38
TP53 P04637 2/20 0.38
MAPK10 P53779 4/20 0.36
MAPK14 Q16539 2/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36

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
SCHEMBL6718018 0.91 CA1 (0.40) LMNATP53MAPK10MAPTMEN1
SCHEMBL6718292 0.89 MAPK10 (0.42) LMNAPFKFB3PFKFB4TP53MAPK10
SCHEMBL6720450 0.89 MAPK10 (0.40) LMNAPFKFB3PFKFB4TP53MAPK10
SCHEMBL7214739 0.87 PFKFB4 (0.43) LMNAPFKFB3PFKFB4TP53MAPK10
SCHEMBL6718112 0.83 MAPK10 (0.40) LMNAPFKFB3PFKFB4TP53MAPK10
SCHEMBL7121467 0.83 MAPK10 (0.39) LMNAPFKFB3PFKFB4TP53MAPK10
SCHEMBL6714983 0.83 CDK1 (0.50) LMNAPFKFB3CDK1CCNB1CCNA2
SCHEMBL6724641 0.82 ERAP1 (0.48) LMNAPFKFB3CDK1CCNB1CCNA2
SCHEMBL6720500 0.81 TSHR (0.50) LMNAPFKFB3CDK1CCNB1CCNA2
SCHEMBL6714790 0.80 LMNA (0.47) LMNACDK1CCNB1CCNA2CCND1

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 LMNA 1790/4885PFKFB3 2298/4885CDK1 2926/4885

“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.