SCHEMBL1945948

SCHEMBL1945948

C=Cn1c(N)cc(=O)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP3A4 P08684 3/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
TSHR P16473 1/20 0.37
CRBN Q96SW2 1/20 0.32
BLM P54132 1/20 0.32
GAA P10253 3/20 0.32
MAPK1 P28482 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
LMNA P02545 1/20 0.32
ATM Q13315 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
SCHEMBL9191218 0.76 ATM (0.44) ALDH1A1GAALMNAATM
SCHEMBL1947370 0.72 ABL1 (0.31)
SCHEMBL3885015 0.72 CYP3A4 (0.54) ALDH1A1KMT2ACYP3A4MEN1SMN1; SMN2
SCHEMBL31137 0.70 KMT2A (0.49) ALDH1A1KMT2ACYP3A4MEN1SMN1; SMN2
SCHEMBL28008497 0.68 KMT2A (0.47) ALDH1A1KMT2ACYP3A4MEN1SMN1; SMN2
SCHEMBL23005496 0.66 CYP3A4 (0.36) CYP3A4
SCHEMBL2436127 0.66
SCHEMBL3064180 0.66 MTNR1A (0.52) ALDH1A1KMT2ACYP3A4MEN1SMN1; SMN2
SCHEMBL1945300 0.65 MAPT (0.32) SMN1; SMN2
SCHEMBL8182458 0.65 KMT2A (0.45) ALDH1A1KMT2ACYP3A4MEN1SMN1; SMN2

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 24 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-7741331-B2 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. (US) 2010-06-22 US disclosed
WO-2009157938-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS FOR TREATING CANCER CV THERAPEUTICS, INC. (US) 2009-12-30 WO disclosed
WO-2009088518-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CANCER CV THERAPEUTICS, INC. (US) 2009-07-16 WO disclosed
US-20080318983-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. 2008-12-25 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 (9 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-20110257127-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ALDH1A1 875/4885KMT2A 2668/4885CYP3A4 1981/4885
US-20050038045-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 875/4885KMT2A 2668/4885CYP3A4 1981/4885
US-20050101778-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 505/4885KMT2A 2260/4885CYP3A4 1629/4885
US-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 691/4885KMT2A 2479/4885CYP3A4 1327/4885
US-20030229106-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 691/4885KMT2A 2479/4885CYP3A4 1327/4885
US-20080318983-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ALDH1A1 443/4885KMT2A 2344/4885CYP3A4 1881/4885
US-20050261316-A1 A2B Adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 875/4885KMT2A 2668/4885CYP3A4 1981/4885
US-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ALDH1A1 875/4885KMT2A 2668/4885CYP3A4 1981/4885
US-20110130362-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ALDH1A1 875/4885KMT2A 2668/4885CYP3A4 1981/4885

“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.