SCHEMBL6724815

SCHEMBL6724815

O=S(=O)(Nc1ccc(C2=NCCc3ccc(Cl)cc32)cc1)c1c(F)cccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
MAPK10 P53779 6/20 0.39
PGR P06401 1/20 0.39
MAPK9 P45984 1/20 0.38
MAPK14 Q16539 1/20 0.38
CCR2 P41597 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
SGK1 O00141 2/20 0.37
DRD2 P14416 2/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
DRD3 P35462 2/20 0.37
HTR6 P50406 2/20 0.37
ALPL P05186 1/20 0.36
CYP3A4 P08684 2/20 0.36
ITGA1 P56199 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
SCHEMBL6718620 0.93 CA1 (0.43) PKMMAPK10PGRMAPK9MAPK14
SCHEMBL6717738 0.92 MAPK10 (0.43) PKMMAPK10PGRMAPK9MAPK14
SCHEMBL6714960 0.87 PKM (0.49) PKMMAPK10CA1CA2CA7
SCHEMBL6724781 0.85 LMNA (0.45) PKMPGRCA1CA2CA7
SCHEMBL6716678 0.81 ITGA1 (0.46) MAPK10SGK1ITGA1
SCHEMBL7124579 0.81 KDM1A (0.48) PGRCCR2
SCHEMBL6724595 0.81 GSPT1 (0.44) MAPK10MAPK9MAPK14ITGA1
SCHEMBL6714837 0.80 MEN1 (0.43) PKMMAPK10PGRMAPK9MAPK14
SCHEMBL7213745 0.80 BRD4 (0.49) PKMDRD2HTR2AHTR2CDRD3
SCHEMBL6714923 0.80 PGR (0.48) PGRCCR2CA1CA2CA7

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 PKM 1869/4885MAPK10 1836/4885PGR 3452/4885

“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.