SCHEMBL6717825

SCHEMBL6717825

O=S(=O)(Nc1cccc(C2=NCCc3ccc(F)cc32)c1)c1c(Cl)sc(Cl)c1Br

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 8/20 0.41
MAPK14 Q16539 2/20 0.37
PFKFB3 Q16875 1/20 0.36
PRF1 P14222 1/20 0.35
PFKFB4 Q16877 2/20 0.35
PTPN1 P18031 1/20 0.34
MAPK9 P45984 1/20 0.34
USP2 O75604 1/20 0.34
TRIM24 O15164 1/20 0.34
MAP2K7 O14733 1/20 0.33
MAP2K4 P45985 1/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
BRD4 O60885 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
SCHEMBL6724654 0.93 MAPK10 (0.43) MAPK10MAPK14PFKFB3PRF1PFKFB4
SCHEMBL6716554 0.92 MAPK10 (0.39) MAPK10MAPK14PFKFB3PFKFB4MAPK9
SCHEMBL7210276 0.90 MAPK10 (0.40) MAPK10PRF1LMNATP53MAPT
SCHEMBL6718112 0.86 MAPK10 (0.40) MAPK10MAPK14PFKFB3PRF1PFKFB4
SCHEMBL6718350 0.86 MAPK10 (0.40) MAPK10MAPK14PFKFB3PFKFB4MAPK9
SCHEMBL7210365 0.82 MAPK10 (0.42) MAPK10MAPK14PRF1TP53MAPT
SCHEMBL6717907 0.82 PFKFB3 (0.55) MAPK10MAPK14PFKFB3PRF1MAPK9
SCHEMBL6718368 0.80 LMNA (0.51) MAPK10PFKFB3PRF1USP2LMNA
SCHEMBL6718292 0.79 MAPK10 (0.42) MAPK10MAPK14PFKFB3PRF1PFKFB4
SCHEMBL6721167 0.79 CA1 (0.36) MAPK10MAPK14PTPN1

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 1836/4885MAPK14 2713/4885PFKFB3 2298/4885

“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.