SCHEMBL1546096

SCHEMBL1546096

CCCn1c(=O)cc(N)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GLA P06280 1/20 0.49
ADORA2A P29274 7/20 0.44
PDE4A P27815 6/20 0.44
PDE4B Q07343 6/20 0.44
PDE4C Q08493 6/20 0.44
PDE4D Q08499 6/20 0.44
ADORA2B P29275 5/20 0.44
ADORA3 P0DMS8 3/20 0.44
ADORA1 P30542 3/20 0.44
HPGD P15428 1/20 0.44
BLM P54132 1/20 0.44
PDE3A Q14432 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.39

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
SCHEMBL1945200 0.89 TSHR (0.54) MAPTSMN1; SMN2GLAADORA2APDE4A
SCHEMBL1944581 0.88 TSHR (0.49) MAPTSMN1; SMN2ADORA2APDE4APDE4B
SCHEMBL1948128 0.85 ALDH1A1 (0.51) MAPTSMN1; SMN2GLAADORA2APDE4A
SCHEMBL27617420 0.81 KMT2A (0.37) SMN1; SMN2HPGDHSD17B10MEN1KMT2A
SCHEMBL5940597 0.81 KMT2A (0.35) MAPTSMN1; SMN2GLAHPGDTSHR
SCHEMBL1945396 0.81 TSHR (0.36) MAPTSMN1; SMN2GLAADORA2APDE4A
SCHEMBL1946234 0.81 ALDH1A1 (0.47) GLAHPGDHSD17B10MEN1KMT2A
SCHEMBL4467734 0.79 TSHR (0.43) MAPTSMN1; SMN2GLAADORA2APDE4A
SCHEMBL9765877 0.79 SMN1; SMN2 (0.42) MAPTSMN1; SMN2GLAADORA2APDE4A
SCHEMBL1946973 0.79 ALDH1A1 (0.45) MAPTHPGDTSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243358-A1 METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2014-08-28 US disclosed
US-20140243358-A1 METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2014-08-28 US disclosed
US-20140243358-A1 METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2014-08-28 US disclosed
US-8609671-B2 Method of inhibiting hepatic fibrosis as a result of liver replacement or repair using A2B adenosine receptor antagonists GILEAD SCIENCES, INC. (US) 2013-12-17 US disclosed
US-8466129-B2 Method of preventing and treating airway remodeling and pulmonary inflammation using A2B adenosine receptor antagonists GILEAD SCIENCES, INC. (US) 2013-06-18 US disclosed
US-8466129-B2 Method of preventing and treating airway remodeling and pulmonary inflammation using A2B adenosine receptor antagonists GILEAD SCIENCES, INC. (US) 2013-06-18 US disclosed
US-8466129-B2 Method of preventing and treating airway remodeling and pulmonary inflammation using A2B adenosine receptor antagonists GILEAD SCIENCES, INC. (US) 2013-06-18 US disclosed
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-20120220608-A1 METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. 2012-08-30 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
WO-2003042214-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2003-05-22 WO disclosed
US-6002004-A Pyrrolodiazine derivatives as stabilizers for chilorine-containing polymers WITCO VINYL ADDITIVES GMBH (DE) 1999-12-14 US disclosed
WO-1999031101-A1 ADENOSINE RECEPTOR ANTAGONISTS WITH IMPROVED BIOACTIVITY UNIVERSITY OF SOUTH FLORIDA (US) 1999-06-24 WO disclosed
EP-0686155-B1 XANTHINE DERIVATIVES AS ADENOSINE A1 RECEPTOR ANTAGONISTS MERRELL PHARMA INC (US) 1998-07-29 EP disclosed
US-5770643-A Pyrrolodiazine derivatives as stabilizers for chlorine-containing polymers CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-06-23 US disclosed
EP-0449175-B1 Selective adenosine receptor agents MERRELL PHARMA INC (US) 1997-07-30 EP disclosed
EP-0736569-A1 Derivatives of pyrrolodiazine as stabilisers for polymers containing chlorine CIBA-GEIGY AG (CH) 1996-10-09 EP disclosed
EP-0449175-A2 Selective adenosine receptor agents MERRELL PHARMACEUTICALS INC. (US) 1991-10-02 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 (5 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-20140243358-A1 METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 MAPT 4844/4885SMN1; SMN2 4408/4885GLA 2545/4885
US-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 MAPT 4828/4885SMN1; SMN2 3610/4885GLA 3531/4885
US-20030229106-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 MAPT 4828/4885SMN1; SMN2 3610/4885GLA 3531/4885
US-20120220608-A1 METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 MAPT 4844/4885SMN1; SMN2 4408/4885GLA 2545/4885
US-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 MAPT 4833/4885SMN1; SMN2 3610/4885GLA 3413/4885

“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.