SCHEMBL6718878

SCHEMBL6718878

COc1cc(C2=NCCc3ccc(Cl)cc32)ccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 5/20 0.47
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
DRD3 P35462 1/20 0.44
HTR6 P50406 1/20 0.44
LMNA P02545 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
MAPK10 P53779 4/20 0.42
FBP1 P09467 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
GHSR Q92847 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL7209338 0.89 CA1 (0.45) CCR9LMNACA1CA2CA7
SCHEMBL6718234 0.88 CCR9 (0.51) CCR9LMNACA1CA2CA7
SCHEMBL6718746 0.88 DRD2 (0.48) CCR9DRD2HTR2AHTR2CDRD3
SCHEMBL6721155 0.86 PTGDR2 (0.49) CCR9LMNAFBP1PTGDR2
SCHEMBL6716624 0.86 PTGDR2 (0.49) CCR9LMNAFBP1PTGDR2
SCHEMBL6714720 0.85 MAPK10 (0.54) DRD2HTR2AHTR2CDRD3HTR6
SCHEMBL6716766 0.83 FBP1 (0.44) CCR9MAPK10FBP1PTGDR2
SCHEMBL6717992 0.82 STAT3 (0.42) CCR9LMNAGHSR
SCHEMBL6715054 0.80 CA1 (0.48) CCR9LMNACA1CA2CA7
SCHEMBL7058476 0.77 MAPK10 (0.43) DRD2HTR2AHTR2CDRD3HTR6

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 CCR9 4220/4885DRD2 406/4885HTR2A 1135/4885

“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.