SCHEMBL6715116

SCHEMBL6715116

COc1cc(C2=NCCc3ccccc32)ccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CKS1B P61024 2/20 0.44
SKP2 Q13309 2/20 0.44
AXL P30530 1/20 0.44
ACLY P53396 1/20 0.43
KIF11 P52732 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
CACNA1B Q00975 1/20 0.41
CA1 P00915 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 0.84 CA1 (0.45) CYP3A4CYP2D6PSEN1PSEN2APH1B
SCHEMBL6716880 0.84 MEN1 (0.55) MEN1KMT2ACA1CA2CA7
SCHEMBL6716456 0.83 CA2 (0.47) LMNAACLYCA1CA2CA7
SCHEMBL6716620 0.83 NR3C1 (0.53) LMNANPSR1ACLYMEN1KMT2A
SCHEMBL6714887 0.82 TSHR (0.50) LMNANPSR1CKS1BSKP2MEN1
SCHEMBL6718029 0.79 CA1 (0.41) LMNAACLYCA1CA2CA7
SCHEMBL6718026 0.78 CA1 (0.42) LMNAACLYCA1CA2CA7
SCHEMBL6720526 0.76 THRB (0.52) LMNANPSR1CKS1BSKP2KMT2A
SCHEMBL6720500 0.75 TSHR (0.50) LMNANPSR1CKS1BSKP2MEN1
SCHEMBL6724853 0.75 MAPK10 (0.43) LMNAACLYCA1CA2CA7

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 CYP3A4 905/4885CYP2D6 250/4885PSEN1 4202/4885

“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.