SCHEMBL6724890

SCHEMBL6724890

O=S(=O)(Nc1ccc(C2=NCCc3ccc(F)cc32)cc1)c1ccc(-c2ccon2)s1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PFKFB3 Q16875 1/20 0.46
PRF1 P14222 6/20 0.40
F10 P00742 3/20 0.39
DRD2 P14416 1/20 0.37
HTR2C P28335 1/20 0.37
DRD3 P35462 1/20 0.37
HTR6 P50406 1/20 0.37
PFKFB4 Q16877 1/20 0.36
MAPT P10636 4/20 0.35
NR1H2 P55055 1/20 0.35
TP53 P04637 1/20 0.35
GHSR Q92847 1/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL6716609 0.90 MEN1 (0.49) MEN1KMT2APFKFB3PRF1F10
SCHEMBL6724818 0.87 KMT2A (0.52) MEN1KMT2APFKFB3F10DRD2
SCHEMBL6720396 0.85 KMT2A (0.51) MEN1KMT2APFKFB3F10DRD2
SCHEMBL6717937 0.84 MEN1 (0.49) MEN1KMT2APFKFB3PRF1F10
SCHEMBL7067510 0.84 PFKFB3 (0.52) MEN1KMT2APFKFB3PRF1F10
SCHEMBL6714757 0.82 PFKFB3 (0.52) MEN1KMT2APFKFB3F10DRD2
SCHEMBL6780301 0.80 PFKFB3 (0.55) MEN1KMT2APFKFB3F10PFKFB4
SCHEMBL6720417 0.77 NPC1 (0.41) MEN1KMT2APFKFB3F10DRD2
SCHEMBL6718296 0.76 MAPK10 (0.39) MEN1KMT2APFKFB3PRF1DRD2
SCHEMBL6714952 0.76 PFKFB3 (0.51) MEN1KMT2APFKFB3PRF1F10

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 MEN1 4445/4885KMT2A 2851/4885PFKFB3 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.