SCHEMBL1546569

SCHEMBL1546569

FC(F)(F)c1ccc(-c2c[c]no2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.44
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
NOTUM Q6P988 1/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP4B1 P13584 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP3A5 P20815 1/20 0.36

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
SCHEMBL3677936 0.80 NOTUM (0.45) KDM4ENPSR1NOTUMCYP1A1CYP1A2
SCHEMBL2825141 0.79 NPC1 (0.39) KDM4ELMNANOTUMCYP1A2CYP2D6
SCHEMBL1546713 0.75 NOTUM (0.48) MEN1KMT2ANPSR1L3MBTL1NOTUM
SCHEMBL5327871 0.69 KIF11 (0.43) KIF11NOTUMCYP1A1CYP1A2CYP2E1
SCHEMBL472465 0.68 PTK2 (0.62) KIF11MEN1KMT2AKDM4ELMNA
SCHEMBL197238 0.67 KIF11 (0.78) KIF11
SCHEMBL13410633 0.67 KIF11 (0.78) KIF11
SCHEMBL29914837 0.67 KIF11 (0.78) KIF11
SCHEMBL3965118 0.67 LMNA (0.44) KIF11MEN1KMT2AKDM4ENPSR1
SCHEMBL30862210 0.66 KIF11 (0.58) KIF11LMNATHRBS1PR1GFER

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 33 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
EP-1622908-B1 XANTHINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-08-06 EP 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-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
US-7001909-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-02-21 US claimed
US-6977300-B2 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2005-12-20 US claimed
US-20050261316-A1 A2B Adenosine receptor antagonists CV THERAPEUTICS, INC. 2005-11-24 US claimed
US-6930111-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2005-08-16 US claimed
EP-1406898-B1 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS INC (US) 2005-04-06 EP claimed
WO-2004106337-A1 XANTHINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-12-09 WO claimed
EP-1406898-A1 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2004-04-14 EP claimed
US-20030229106-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-12-11 US claimed
US-20030181352-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2003-09-25 US claimed
US-20030176447-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2003-09-18 US claimed
WO-2003008411-A1 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2003-01-30 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20030181352-A1 Substituted heterocyclic compounds DLD, LPL, HDLBP KIF11 3391/4885MEN1 3242/4885KMT2A 3449/4885
US-20030176447-A1 Substituted heterocyclic compounds DLD, LPL, HDLBP KIF11 3391/4885MEN1 3242/4885KMT2A 3449/4885
US-20030229106-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 KIF11 4620/4885MEN1 4745/4885KMT2A 2479/4885
US-20050261316-A1 A2B Adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 KIF11 4603/4885MEN1 4713/4885KMT2A 2668/4885
US-20100105706-A1 METHOD OF PREVENTING AND TREATING AIRWAY REMODELING AND PULMONARY INFLAMMATION USING A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 KIF11 4866/4885MEN1 4760/4885KMT2A 2116/4885
US-20060058322-A1 Method of wound healing using A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 KIF11 4686/4885MEN1 4794/4885KMT2A 3178/4885

“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.