SCHEMBL6301231

SCHEMBL6301231

COC(=O)c1cc(C)c2nc(C)nc-2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
XDH P47989 3/20 0.42
KDM4E B2RXH2 4/20 0.39
MAPK1 P28482 1/20 0.39
ABL1 P00519 5/20 0.38
SRC P12931 4/20 0.38
ALPL P05186 2/20 0.37
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 3/20 0.35
GLA P06280 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 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
SCHEMBL7018197 0.82 XDH (0.39) CYP1A2XDHKDM4EMAPK1ABL1
SCHEMBL6299296 0.73 GAA (0.46) CYP1A2XDHKDM4EMAPK1ALPL
SCHEMBL6802319 0.72 CYP1A2 (0.53) CYP1A2XDHKDM4EMAPK1ABL1
SCHEMBL28618724 0.71 CYP1A2 (0.52) CYP1A2XDHKDM4EMAPK1ABL1
SCHEMBL4475926 0.67 CYP1A2 (0.51) CYP1A2XDHKDM4EMAPK1ALPL
SCHEMBL16090782 0.67 XDH (0.52) CYP1A2XDHKDM4EMAPK1ALPL
SCHEMBL24843478 0.67 KDM4E (0.45) CYP1A2XDHKDM4EMAPK1ABL1
SCHEMBL20568733 0.67 GAA (0.51) CYP1A2XDHABL1SRCRAB9A
SCHEMBL30020861 0.66 CYP1A2 (0.50) CYP1A2XDHKDM4EMAPK1ABL1
SCHEMBL8318563 0.66 GLA (0.49) CYP1A2XDHKDM4EALPLMAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6911469-B2 Sulfonamide compounds and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-28 US disclosed
US-6890934-B2 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-05-10 US disclosed
US-20040180947-A1 hypoglycemic activity or phoshodiesterase-V inhibitory activity; prophylaxis and treatment of impaired glucose tolerance disorder, diabetes (e.g., type II diabetes), diabetic complications FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-16 US disclosed
US-20030171396-A1 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-11 US disclosed
US-6573274-B1 Treatment of the diseases curable based on a hypoglycemic action, and the diseases curable based on a cGMP-PDE inhibitory action, a smooth muscle relaxing action, a bronchodilating action, a vasodilating action, a smooth muscle FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-06-03 US disclosed
US-20020099212-A1 For therapy of disease treatable based on a blood sugar level-depressing activity or a disease treatable based on a cGMP-PDE inhibiting activity, smooth muscle relaxing activity, bronchodilating activity, vasodilating activity FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-07-25 US disclosed
US-6348474-B1 COMPOUNDS AS ANTIDIABETIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-1136492-A1 SULFONAMIDE COMPOUNDS AND USES THEREOF AS MEDICINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-26 EP disclosed
EP-0995742-A1 SULFONAMIDE COMPOUNDS AND MEDICINAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-26 EP 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 (3 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-20020099212-A1 For therapy of disease treatable based on a blood sugar level-depressing activity or a disease treatable based on a cGMP-PDE inhibiting activity, smooth muscle relaxing activity, bronchodilating activity, vasodilating activity PDE2A, PDE3A, PDE12 CYP1A2 1473/4885XDH 272/4885KDM4E 1305/4885
US-20030171396-A1 Sulfonamide compounds and uses thereof as medicines PDE2A, PDE3A, PDE5A CYP1A2 1033/4885XDH 524/4885KDM4E 1599/4885
US-20040180947-A1 hypoglycemic activity or phoshodiesterase-V inhibitory activity; prophylaxis and treatment of impaired glucose tolerance disorder, diabetes (e.g., type II diabetes), diabetic complications PDE2A, PDE3A, PYGM CYP1A2 979/4885XDH 94/4885KDM4E 935/4885

“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.