SCHEMBL6716554

SCHEMBL6716554

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 7/20 0.39
MAPK14 Q16539 2/20 0.38
MAPK9 P45984 1/20 0.38
DRD2 P14416 1/20 0.35
HTR2C P28335 1/20 0.35
DRD3 P35462 1/20 0.35
HTR6 P50406 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ITGA1 P56199 1/20 0.34
PFKFB3 Q16875 2/20 0.34
PFKFB4 Q16877 2/20 0.34
GAA P10253 1/20 0.34
CYP19A1 P11511 1/20 0.33
HSD17B3 P37058 1/20 0.33
PGR P06401 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL6718350 0.93 MAPK10 (0.40) MAPK10MAPK14MAPK9TAAR1ITGA1
SCHEMBL6717825 0.92 MAPK10 (0.41) MAPK10MAPK14MAPK9PFKFB3PFKFB4
SCHEMBL6724654 0.86 MAPK10 (0.43) MAPK10MAPK14MAPK9PFKFB3PFKFB4
SCHEMBL7121467 0.85 MAPK10 (0.39) MAPK10MAPK14MAPK9DRD2HTR2C
SCHEMBL6717738 0.84 MAPK10 (0.43) MAPK10MAPK14MAPK9DRD2HTR2C
SCHEMBL7210276 0.83 MAPK10 (0.40) MAPK10DRD2HTR2CDRD3HTR6
SCHEMBL6717849 0.83 PGR (0.47) MAPK10MAPK14MAPK9DRD2HTR2C
SCHEMBL6721167 0.82 CA1 (0.36) MAPK10MAPK14ITGA1PGRALDH1A1
SCHEMBL6714986 0.79 LMNA (0.48) MAPK10MAPK14MAPK9DRD2HTR2C
SCHEMBL6718857 0.79 ALDH1A1 (0.48) MAPK10MAPK14MAPK9DRD2HTR2C

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 2713/4885MAPK9 2308/4885

“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.