SCHEMBL1945837

SCHEMBL1945837

Cn1c(=O)c2c(nc(-c3ccc(O)cc3)n2Cc2ccccc2)n(C)c1=O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.62
LMNA P02545 4/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MAPT P10636 3/20 0.60
PCSK9 Q8NBP7 1/20 0.58
ADORA2B P29275 2/20 0.57
HSD17B10 Q99714 2/20 0.57
ALOX15 P16050 2/20 0.57
ADORA2A P29274 1/20 0.57
BRAF P15056 1/20 0.57
HTT P42858 3/20 0.56
MAPK1 P28482 2/20 0.56
USP2 O75604 1/20 0.56
ALDH1A1 P00352 5/20 0.55
DPP4 P27487 2/20 0.55
TSHR P16473 2/20 0.55
RECQL P46063 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
POLB P06746 1/20 0.55

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
SCHEMBL1946977 0.84 ADORA2B (0.67) HPGDADORA2BADORA2A
SCHEMBL17859685 0.83 HPGD (0.55) HPGDLMNASMN1; SMN2MAPTPCSK9
SCHEMBL1946435 0.83 PDE5A (0.55) HPGDMAPTADORA2BADORA2AHTT
SCHEMBL1944950 0.81 ALDH1A1 (0.55) HPGDSMN1; SMN2MAPTADORA2BHSD17B10
SCHEMBL31575420 0.81 LMNA (0.60) HPGDLMNASMN1; SMN2MAPTPCSK9
SCHEMBL1946871 0.80 HPGD (0.51) HPGDLMNASMN1; SMN2MAPTADORA2B
SCHEMBL16028970 0.79 BRAF (0.56) HPGDLMNASMN1; SMN2MAPTPCSK9
SCHEMBL1944953 0.79 ALDH1A1 (0.48) HPGDLMNASMN1; SMN2MAPTADORA2B
SCHEMBL19760508 0.79 HPGD (0.51) HPGDLMNASMN1; SMN2MAPTPCSK9
SCHEMBL555173 0.79 HTT (0.78) LMNASMN1; SMN2MAPTPCSK9HSD17B10

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 27 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
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
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-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
WO-2004106337-A1 XANTHINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-12-09 WO disclosed
US-6825349-B2 PURINE DERIVATIVES FOR TREATMENT OF GASTROINTESTINAL DISORDERS, IMMUNOLOGICAL DISORDERS, NEUROLOGICAL DISORDERS CV THERAPEUTICS INC. 2004-11-30 US disclosed
EP-1444233-A2 A 2B? ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-08-11 EP 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
WO-2003042214-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2003-05-22 WO 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 (10 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 HPGD 718/4885LMNA 3881/4885SMN1; SMN2 3610/4885
US-20050038045-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 HPGD 718/4885LMNA 3881/4885SMN1; SMN2 3610/4885
US-20050101778-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 HPGD 645/4885LMNA 3677/4885SMN1; SMN2 2102/4885
US-20100222300-A1 A2B Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 HPGD 718/4885LMNA 3881/4885SMN1; SMN2 3610/4885
US-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 HPGD 899/4885LMNA 4044/4885SMN1; SMN2 3610/4885
US-20030229106-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 HPGD 899/4885LMNA 4044/4885SMN1; SMN2 3610/4885
US-20080318983-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 HPGD 489/4885LMNA 3506/4885SMN1; SMN2 1982/4885
US-20050261316-A1 A2B Adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 HPGD 718/4885LMNA 3881/4885SMN1; SMN2 3610/4885
US-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 HPGD 718/4885LMNA 3881/4885SMN1; SMN2 3610/4885
US-20110130362-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 HPGD 718/4885LMNA 3881/4885SMN1; SMN2 3610/4885

“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.