SCHEMBL6714837

SCHEMBL6714837

O=S(=O)(Nc1cccc(C2=NCCc3ccc(Cl)cc32)c1)c1ccc(F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GFER P55789 2/20 0.43
CYP19A1 P11511 1/20 0.43
GAA P10253 1/20 0.41
LMNA P02545 3/20 0.41
MAPK10 P53779 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
PKM P14618 2/20 0.41
PGR P06401 1/20 0.41
DRD2 P14416 3/20 0.41
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
DRD3 P35462 3/20 0.41
HTR6 P50406 3/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL6779986 0.92 CYP19A1 (0.43) MEN1KMT2AGFERCYP19A1GAA
SCHEMBL6724781 0.90 LMNA (0.45) MEN1KMT2AGFERGAALMNA
SCHEMBL6717738 0.88 MAPK10 (0.43) CYP19A1GAAMAPK10PKMPGR
SCHEMBL6720449 0.87 PFKFB3 (0.48) MEN1KMT2ALMNAMAPK10MAPT
SCHEMBL6717849 0.87 PGR (0.47) CYP19A1GAALMNAMAPK10ALDH1A1
SCHEMBL6714986 0.87 LMNA (0.48) MEN1KMT2ACYP19A1GAALMNA
SCHEMBL6718416 0.85 TRIM24 (0.45) MEN1KMT2AGFERLMNAMAPK10
SCHEMBL6714772 0.85 CCR9 (0.48) CYP19A1LMNAALDH1A1HTTDRD2
SCHEMBL7214704 0.85 DRD2 (0.48) CYP19A1GAAMAPK10DRD2HTR2A
SCHEMBL6716766 0.84 FBP1 (0.44) CYP19A1GAAMAPK10

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 2851/4885GFER 4544/4885

“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.