SCHEMBL1546514

SCHEMBL1546514

COc1cccc(-c2n[c]no2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.54
RAB9A P51151 10/20 0.54
SMN1; SMN2 Q16637 7/20 0.54
TP53 P04637 5/20 0.54
TDP1 Q9NUW8 3/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
NOTUM Q6P988 2/20 0.53
KDM4E B2RXH2 4/20 0.51
KMT2A Q03164 3/20 0.51
HPGD P15428 5/20 0.48
ALDH1A1 P00352 4/20 0.48
DYRK1A Q13627 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
PKM P14618 1/20 0.47
GRM5 P41594 1/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL2333242 0.80 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL5552349 0.78 RAB9A (0.50) NPC1RAB9ASMN1; SMN2TP53NOTUM
SCHEMBL29040328 0.75 ALDH1A1 (0.51) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL5553581 0.75 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL1181062 0.74 KDM4E (0.78) NPC1RAB9ASMN1; SMN2TP53TDP1
SCHEMBL795461 0.73 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53TDP1
SCHEMBL17655995 0.72 NPC1 (0.55) NPC1RAB9ASMN1; SMN2TP53TDP1
SCHEMBL196765 0.72 CYP3A4 (0.73) NOTUMKDM4EKMT2AALDH1A1DYRK1A
SCHEMBL29489425 0.72 CYP3A4 (0.73) NOTUMKDM4EKMT2AALDH1A1DYRK1A
SCHEMBL3621429 0.71 NOTUM (0.56) NPC1RAB9ASMN1; SMN2TP53TDP1

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 19 patents. 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-2311462-A1 Method of preventing and treating airway remodeling and pulmonary inflammation using A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2011-04-20 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 (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 NPC1 2104/4885RAB9A 1841/4885SMN1; SMN2 3610/4885
US-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 NPC1 2057/4885RAB9A 1699/4885SMN1; SMN2 3610/4885
US-20100105706-A1 METHOD OF PREVENTING AND TREATING AIRWAY REMODELING AND PULMONARY INFLAMMATION USING A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 NPC1 1966/4885RAB9A 2329/4885SMN1; SMN2 4836/4885
US-20060058322-A1 Method of wound healing using A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 NPC1 4181/4885RAB9A 1909/4885SMN1; SMN2 4459/4885

“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.