SCHEMBL4654929

SCHEMBL4654929

CC(C)(C)OC(=O)NCCCn1cc(C(=O)O)c(=O)c2ccc(CNc3nccn3C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 3/20 0.37
CNR1 P21554 3/20 0.37
PDPK1 O15530 1/20 0.37
CCNB2 O95067 1/20 0.37
PRKCB P05771 1/20 0.37
CDK1 P06493 1/20 0.37
LYN P07948 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
RPS6KA3 P51812 1/20 0.37
CCNA1 P78396 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
DYRK1A Q13627 1/20 0.36
NAMPT P43490 2/20 0.34
CNR2 P34972 2/20 0.34
TOP1 P11387 3/20 0.34

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
SCHEMBL4654781 0.93 P2RX3 (0.40) CAMK2DCNR1PDPK1CCNB2PRKCB
SCHEMBL5663451 0.84 CNR1 (0.35) CNR1ITGB3ITGAVCNR2TOP1
SCHEMBL4388255 0.82 S1PR1 (0.40)
SCHEMBL5663498 0.79 CNR2 (0.40) CAMK2DCNR1PDPK1CCNB2PRKCB
SCHEMBL7052174 0.77 P2RX3 (0.39) CAMK2DCNR1ITGB3ITGAVCNR2
SCHEMBL12372084 0.75 P2RX3 (0.42) CAMK2DCDK1CDK2
SCHEMBL6073363 0.75 CAMK2D (0.51) CAMK2DCNR1DYRK1ACNR2
SCHEMBL6073315 0.73 CAMK2D (0.42) CAMK2DCNR1PDPK1CCNB2PRKCB
SCHEMBL6073784 0.73 CAMK2D (0.42) CAMK2DCNR1PDPK1CCNB2PRKCB
SCHEMBL29324307 0.71 LMNA (0.53) CAMK2DCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307226-B1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS LANTHEUS MEDICAL IMAGING INC (US) 2008-11-19 EP disclosed
EP-1423152-A4 SIMULTANEOUS IMAGING OF CARDIAC PERFUSION AND A VITRONECTIN RECEPTOR TARGETED IMAGING AGENT BRISTOL MYERS SQUIBB PHARMA CO (US) 2006-12-27 EP disclosed
US-7138104-B2 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-21 US disclosed
US-7018611-B2 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-03-28 US disclosed
CN-1541115-A Smulaneous imaging of cardiac perfusion and vitronection receptor targeted imaging agent ����˹�ж�-����˹˹����ҩƷ��˾ 2004-10-27 CN disclosed
EP-1423152-A2 SIMULTANEOUS IMAGING OF CARDIAC PERFUSION AND A VITRONECTIN RECEPTOR TARGETED IMAGING AGENT Bristol-Myers Squibb Pharma Company (US) 2004-06-02 EP disclosed
US-6743412-B2 ADMINISTERING TO TREAT RHEUMATOID ARTHRITIS, CANCER, RESTENOSIS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-06-01 US disclosed
US-6689337-B2 TARGETING MOIETY OF A QUINOLONE NONPEPTIDE BOUND TO A CHELATOR AND ALSO BINDS TO A RECEPTOR THAT IS UPREGULATED DURING ANGIOGENESIS; IMAGING COMPOUNDS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-02-10 US disclosed
US-6683163-B2 MONITORING ANGIOGENESIS FACTOR BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-01-27 US disclosed
US-20030232053-A1 Vitronectin receptor antagonist pharmaceuticals LANTHEUS MEDICAL IMAGING, INC. 2003-12-18 US disclosed
US-6511649-B1 Chemotherapeutic, a radiosensitizer agent, and a targeting moiety bound to chelator and is a quinolone nonpeptide that binds to a receptor; therapeutically effective radioisotope or diagnostically effective imageable moiety; cancer LANTHEUS MI REAL ESTATE, LLC 2003-01-28 US disclosed
US-6511648-B2 Diagnosis, therapy cancer BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-28 US disclosed
US-20020182147-A1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS LANTHEUS MI REAL ESTATE, LLC 2002-12-05 US disclosed
CN-1356913-A vitronectin receptor antagonist drugs DU PONT PHARM CO (US) 2002-07-03 CN disclosed
US-20020061909-A1 Vitronectin receptor antagonist pharmaceuticals LANTHEUS MI REAL ESTATE, LLC 2002-05-23 US disclosed
US-20020041878-A1 Vitronectin receptor antagonist pharmaceuticals LANTHEUS MEDICAL IMAGING, INC. 2002-04-11 US disclosed
US-20020015680-A1 QUINOLONE VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS CITIZENS BANK, N.A. 2002-02-07 US disclosed
WO-2001097848-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 WO disclosed
EP-1140204-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
WO-2000035492-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 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 (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-20020015680-A1 QUINOLONE VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS ADGRF1, QRFPR, ADGRE5 CAMK2D 1759/4885CNR1 52/4885PDPK1 3963/4885
US-20020041878-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 CAMK2D 1359/4885CNR1 77/4885PDPK1 4056/4885
US-20030232053-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 CAMK2D 1194/4885CNR1 85/4885PDPK1 4173/4885
US-20020061909-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 CAMK2D 1194/4885CNR1 85/4885PDPK1 4173/4885
US-20020182147-A1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS ADGRF1, RXFP1, VCAM1 CAMK2D 1194/4885CNR1 85/4885PDPK1 4173/4885

“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.