SCHEMBL6300129

SCHEMBL6300129

Cc1nc2nc(Br)cc(C)c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
ADORA1 P30542 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
ADORA2A P29274 1/20 0.41
CSNK2A1 P68400 1/20 0.39
NUDT1 P36639 1/20 0.37
MAPT P10636 1/20 0.35
AURKA O14965 1/20 0.31
AKT2 P31751 1/20 0.30
PARP1 P09874 1/20 0.30

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
SCHEMBL21263297 0.79 ADORA1 (0.61) SMN1; SMN2ADORA1ADORA3ADORA2ACSNK2A1
SCHEMBL3210466 0.78 ADORA1 (0.70) SMN1; SMN2ADORA1ADORA3ADORA2A
SCHEMBL5421997 0.76 ADORA1 (0.41) SMN1; SMN2ADORA1ADORA3ADORA2ACSNK2A1
SCHEMBL7386115 0.75 ADORA1 (0.53) ADORA1ADORA3ADORA2A
SCHEMBL16801763 0.68 NQO2 (0.42) SMN1; SMN2ADORA1ADORA3ADORA2ACSNK2A1
SCHEMBL6300995 0.67 KDM4E (0.44) ADORA1ADORA3ADORA2AMAPT
SCHEMBL6305824 0.67 AURKA (0.58) SMN1; SMN2ADORA1ADORA3ADORA2ACSNK2A1
SCHEMBL30490138 0.65 SMN1; SMN2 (0.47) SMN1; SMN2ADORA1ADORA3ADORA2ACSNK2A1
SCHEMBL6300137 0.65 SMN1; SMN2 (0.47) SMN1; SMN2ADORA1ADORA3ADORA2ACSNK2A1
SCHEMBL2632907 0.64

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 5 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-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-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-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 (2 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 SMN1; SMN2 186/4885ADORA1 307/4885ADORA3 582/4885
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 SMN1; SMN2 1017/4885ADORA1 456/4885ADORA3 472/4885

“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.