SCHEMBL242857

SCHEMBL242857

COc1ccccc1-c1n[c]no1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.47
SMN1; SMN2 Q16637 10/20 0.47
NPC1 O15118 9/20 0.47
GAA P10253 2/20 0.47
TP53 P04637 9/20 0.46
ALDH1A1 P00352 8/20 0.46
HSD17B10 Q99714 8/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RXFP1 Q9HBX9 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK1 P28482 1/20 0.46
PPARG P37231 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 1/20 0.46
KDM4E B2RXH2 5/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 3/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43

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
SCHEMBL5553573 0.77 RAB9A (0.52) RAB9ASMN1; SMN2NPC1GAAALDH1A1
SCHEMBL4773008 0.73 NPC1 (0.46) RAB9ASMN1; SMN2NPC1GAATP53
SCHEMBL1946632 0.73 NPC1 (0.52) RAB9ASMN1; SMN2NPC1TP53ALDH1A1
SCHEMBL30518186 0.70 RAB9A (0.50) RAB9ASMN1; SMN2NPC1GAATP53
SCHEMBL5608305 0.70 RAB9A (0.50) RAB9ASMN1; SMN2NPC1GAATP53
SCHEMBL301996 0.70 CA1 (0.71) RAB9ASMN1; SMN2GAATP53ALDH1A1
SCHEMBL29788337 0.70 CA1 (0.71) RAB9ASMN1; SMN2GAATP53ALDH1A1
SCHEMBL29429633 0.70 CA1 (0.71) RAB9ASMN1; SMN2GAATP53ALDH1A1
SCHEMBL5551673 0.69 NOTUM (0.50) ALDH1A1HSD17B10L3MBTL1MAPK1TSHR
SCHEMBL5660762 0.69 RAB9A (0.61) RAB9ASMN1; SMN2NPC1GAATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1789053-B1 METHOD OF WOUND HEALING USING A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES INC (US) 2012-06-13 EP claimed
US-20100105706-A1 METHOD OF PREVENTING AND TREATING AIRWAY REMODELING AND PULMONARY INFLAMMATION USING A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD PALO ALTO, INC. (US) 2010-04-29 US claimed
CN-100467469-C A2BAdenosine receptor antagonists CV THERAPEUTICS INC (US) 2009-03-11 CN claimed
CN-101043889-A Using A2BMethod of promoting wound healing with adenosine receptor antagonists CV THERAPEUTICS INC (US) 2007-09-26 CN claimed
CN-101039677-A Using A2BMethod for preventing and treating airway remodeling and pulmonary inflammation by adenosine receptor antagonist CV THERAPEUTICS INC (US) 2007-09-19 CN claimed
EP-1799221-A1 METHOD OF PREVENTING AND TREATING AIRWAY REMODELING AND PULMONARY INFLAMMATION USING A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2007-06-27 EP claimed
EP-1789053-A2 METHOD OF WOUND HEALING USING A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2007-05-30 EP claimed
US-7105665-B2 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2006-09-12 US claimed
US-20060159627-A1 Method of preventing and treating airway remodeling and pulmonary inflammation using A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2006-07-20 US claimed
WO-2006044610-A1 METHOD OF PREVENTING AND TREATING AIRWAY REMODELING AND PULMONARY INFLAMMATION USING A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC (US) 2006-04-27 WO claimed
WO-2006028810-A2 METHOD OF WOUND HEALING USING A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-03-16 WO claimed
US-20060058322-A1 Method of wound healing using A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2006-03-16 US claimed
CN-1585769-A A2b adenosine receptor antagonists CV THERAPEUTICS INC (US) 2005-02-23 CN claimed
US-20050038045-A1 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. 2005-02-17 US claimed
US-6825349-B2 PURINE DERIVATIVES FOR TREATMENT OF GASTROINTESTINAL DISORDERS, IMMUNOLOGICAL DISORDERS, NEUROLOGICAL DISORDERS CV THERAPEUTICS INC. 2004-11-30 US claimed
EP-1444233-A2 A 2B? ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-08-11 EP claimed
US-20030139428-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-07-24 US claimed
WO-2003042214-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2003-05-22 WO claimed
EP-3103454-A1 USE OF A2B ADENOSINE RECEPTOR ANTAGONISTS FOR TREATING HEART FAILURE AND ARRHYTHMIA IN POST-MYOCARDIAL INFARCTION PATIENTS Gilead Sciences, Inc. (US) 2016-12-14 EP 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 (4 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-20050038045-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 RAB9A 1841/4885SMN1; SMN2 3610/4885NPC1 2104/4885
US-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 RAB9A 1699/4885SMN1; SMN2 3610/4885NPC1 2057/4885
US-20100105706-A1 METHOD OF PREVENTING AND TREATING AIRWAY REMODELING AND PULMONARY INFLAMMATION USING A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 RAB9A 2329/4885SMN1; SMN2 4836/4885NPC1 1966/4885
US-20060058322-A1 Method of wound healing using A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 RAB9A 1909/4885SMN1; SMN2 4459/4885NPC1 4181/4885

“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.