SCHEMBL5421997

SCHEMBL5421997

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
ADORA2A P29274 1/20 0.41
NUDT1 P36639 1/20 0.37
CSNK2A1 P68400 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
TACR2 P21452 1/20 0.32
AURKA O14965 1/20 0.31
LMNA P02545 1/20 0.31
TYK2 P29597 1/20 0.30
AKT2 P31751 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) ADORA1ADORA3ADORA2ANUDT1CSNK2A1
SCHEMBL3217333 0.78 ADORA1 (0.70) ADORA1ADORA3ADORA2ASMN1; SMN2HTT
SCHEMBL6300129 0.76 SMN1; SMN2 (0.42) ADORA1ADORA3ADORA2ANUDT1CSNK2A1
SCHEMBL7383805 0.75 ADORA1 (0.53) ADORA1ADORA3ADORA2ASMN1; SMN2HTT
SCHEMBL13544179 0.68 ALDH1A1 (0.47) ADORA1ADORA3CSNK2A1HTTALDH1A1
SCHEMBL6494388 0.68 HTT (0.43) ADORA3CSNK2A1SMN1; SMN2HTTALDH1A1
SCHEMBL29491160 0.68 ALDH1A1 (0.43) ADORA1ADORA3ADORA2ACSNK2A1SMN1; SMN2
SCHEMBL16427445 0.68 ALDH1A1 (0.43) ADORA1ADORA3ADORA2ACSNK2A1SMN1; SMN2
SCHEMBL31218454 0.68 HTT (0.43) ADORA3CSNK2A1SMN1; SMN2HTTALDH1A1
SCHEMBL6300995 0.67 KDM4E (0.44) ADORA1ADORA3ADORA2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507484-B2 Preventive and/or therapeutic agent for neutrophilic inflammatory diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-08-13 US disclosed
US-20070213361-A1 Preventive and/or therapeutic agent for neutrophilic inflammatory diseases KYOWA KIRIN CO., LTD. (JP) 2007-09-13 US disclosed
EP-1724271-A1 PREVENTIVE AND/OR THERAPEUTIC AGENT FOR NEUTROPHILIC INFLAMMATION DISEASE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-11-22 EP disclosed
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 (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 ADORA1 307/4885ADORA3 582/4885ADORA2A 507/4885
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 ADORA1 456/4885ADORA3 472/4885ADORA2A 348/4885
US-20070213361-A1 Preventive and/or therapeutic agent for neutrophilic inflammatory diseases MPO, MSR1, NR4A3 ADORA1 146/4885ADORA3 57/4885ADORA2A 280/4885

“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.