SCHEMBL6724902

SCHEMBL6724902

O=S(=O)(Nc1cccc(C2=NCCc3cc(F)ccc32)c1)c1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 1/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTR6 P50406 2/20 0.45
HTR1A P08908 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45
DRD3 P35462 1/20 0.45
SYK P43405 1/20 0.44
TRIM24 O15164 1/20 0.44
F2 P00734 1/20 0.43
GGPS1 O95749 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PKM P14618 2/20 0.42
PIK3CB P42338 1/20 0.42

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
SCHEMBL6716742 0.92 PFKFB3 (0.48) PFKFB3HTTLMNAMAPTMEN1
SCHEMBL6714859 0.90 ATM (0.47) LMNAMAPTMEN1KMT2AHTR6
SCHEMBL6720428 0.89 PFKFB3 (0.53) PFKFB3HTTLMNAMAPTMEN1
SCHEMBL6718416 0.88 TRIM24 (0.45) PFKFB3LMNAMAPTMEN1KMT2A
SCHEMBL6725400 0.88 SYK (0.48) PFKFB3HTTLMNAMAPTMEN1
SCHEMBL6718228 0.86 HSD17B2 (0.45) LMNAMAPTMEN1KMT2ATRIM24
SCHEMBL6720565 0.84 UQCRB (0.47) HTTLMNAMAPTMEN1KMT2A
SCHEMBL6720398 0.84 TSHR (0.47) LMNAMAPTMEN1KMT2ANPSR1
SCHEMBL6720449 0.83 PFKFB3 (0.48) PFKFB3HTTLMNAMAPTMEN1
SCHEMBL6718824 0.82 ATM (0.47) HTTLMNAMAPTMEN1KMT2A

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 PFKFB3 2298/4885HTT 3793/4885LMNA 1790/4885

“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.