SCHEMBL1948487

SCHEMBL1948487

Nc1c(N=O)c(=O)[nH]c(=O)n1CC1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CYP3A4 P08684 1/20 0.49
PDE5A O76074 2/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
GRIN1 Q05586 6/20 0.35
GRIN2B Q13224 6/20 0.35
MAPT P10636 3/20 0.35
POLB P06746 2/20 0.35
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CDK2 P24941 1/20 0.34
GLA P06280 1/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.32

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
SCHEMBL1958096 0.85 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL1943792 0.80 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL2484816 0.79 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL1546118 0.78 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL1546582 0.77 MAPT (0.59) SMN1; SMN2ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL1945866 0.74 MAPT (0.61) SMN1; SMN2ALDH1A1KMT2AMEN1PDE4A
SCHEMBL7776470 0.74 PDE5A (0.48) SMN1; SMN2ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL1946869 0.73 KDM4E (0.56) SMN1; SMN2ALDH1A1KMT2AMEN1MAPT
SCHEMBL1947204 0.72 MAPT (0.63) SMN1; SMN2ALDH1A1KMT2AMEN1PDE4A
SCHEMBL1944939 0.72 MAPT (0.44) SMN1; SMN2ALDH1A1KMT2AMEN1MAPT

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2013-05-16 US disclosed
US-8324224-B2 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. (US) 2012-12-04 US disclosed
US-20110257127-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2011-10-20 US disclosed
EP-1444233-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD PALO ALTO INC (US) 2011-08-17 EP disclosed
US-20110130362-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2011-06-02 US disclosed
US-7795269-B2 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. (US) 2010-09-14 US disclosed
US-20100222300-A1 A2B Adenosine Receptor Antagonists GILEAD PALO ALTO, INC. (US) 2010-09-02 US disclosed
US-7741331-B2 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. (US) 2010-06-22 US disclosed
US-20080318983-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. 2008-12-25 US disclosed
US-20080194593-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. 2008-08-14 US disclosed
US-7317017-B2 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2008-01-08 US disclosed
US-7304070-B2 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2007-12-04 US disclosed
US-7105665-B2 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2006-09-12 US disclosed
US-6977300-B2 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2005-12-20 US disclosed
US-20050261316-A1 A2B Adenosine receptor antagonists CV THERAPEUTICS, INC. 2005-11-24 US disclosed
US-20050101778-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2005-05-12 US disclosed
US-20050038045-A1 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. 2005-02-17 US disclosed
US-6825349-B2 PURINE DERIVATIVES FOR TREATMENT OF GASTROINTESTINAL DISORDERS, IMMUNOLOGICAL DISORDERS, NEUROLOGICAL DISORDERS CV THERAPEUTICS INC. 2004-11-30 US disclosed
US-20030229106-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-12-11 US disclosed
US-20030139428-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-07-24 US 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 (11 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-20080194593-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 SMN1; SMN2 1982/4885ALDH1A1 443/4885KMT2A 2344/4885
US-20110257127-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 SMN1; SMN2 3610/4885ALDH1A1 875/4885KMT2A 2668/4885
US-20050038045-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 SMN1; SMN2 3610/4885ALDH1A1 875/4885KMT2A 2668/4885
US-20050101778-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 SMN1; SMN2 2102/4885ALDH1A1 505/4885KMT2A 2260/4885
US-20100222300-A1 A2B Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 SMN1; SMN2 3610/4885ALDH1A1 875/4885KMT2A 2668/4885
US-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 SMN1; SMN2 3610/4885ALDH1A1 691/4885KMT2A 2479/4885
US-20030229106-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 SMN1; SMN2 3610/4885ALDH1A1 691/4885KMT2A 2479/4885
US-20080318983-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 SMN1; SMN2 1982/4885ALDH1A1 443/4885KMT2A 2344/4885
US-20050261316-A1 A2B Adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 SMN1; SMN2 3610/4885ALDH1A1 875/4885KMT2A 2668/4885
US-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 SMN1; SMN2 3610/4885ALDH1A1 875/4885KMT2A 2668/4885
US-20110130362-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 SMN1; SMN2 3610/4885ALDH1A1 875/4885KMT2A 2668/4885

“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.