SCHEMBL6073784

SCHEMBL6073784

C=Cc1ccc2c(=O)c(C(=O)O)cn(CCCNC(=O)OC(C)(C)C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 3/20 0.42
DYRK1A Q13627 1/20 0.39
DRD2 P14416 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CNR2 P34972 7/20 0.37
CNR1 P21554 3/20 0.37
PDPK1 O15530 1/20 0.36
CCNB2 O95067 1/20 0.36
PRKCB P05771 1/20 0.36
CDK1 P06493 1/20 0.36
LYN P07948 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
GSK3B P49841 1/20 0.36
RPS6KA3 P51812 1/20 0.36
CCNA1 P78396 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL6073315 0.92 CAMK2D (0.42) CAMK2DDYRK1AALDH1A1CNR2CNR1
SCHEMBL4654813 0.89 KMT2A (0.44) CAMK2DDYRK1AALDH1A1CNR2CNR1
SCHEMBL6073363 0.86 CAMK2D (0.51) CAMK2DDYRK1ACNR2CNR1
SCHEMBL4653711 0.81 P2RX3 (0.41) CAMK2DDYRK1AALDH1A1CNR2CNR1
SCHEMBL29324307 0.77 LMNA (0.53) CAMK2DCNR2
SCHEMBL9319939 0.76 ALDH1A1 (0.42) CAMK2DALDH1A1TDP1
SCHEMBL4656142 0.75 LMNA (0.53) CAMK2DDYRK1ACNR2CNR1TDP1
SCHEMBL4176799 0.74 ALDH1A1 (0.43) CAMK2DALDH1A1CNR2
SCHEMBL5711757 0.73 HSD17B10 (0.42) CAMK2DALDH1A1CNR2
SCHEMBL4654929 0.73 CAMK2D (0.37) CAMK2DDYRK1ACNR2CNR1PDPK1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7018611-B2 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-03-28 US 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-20030124120-A1 Quinolone vitronectin receptor antagonist pharmaceuticals HARRIS THOMAS D (US) 2003-07-03 US disclosed
US-20030113336-A1 Vitronectin receptor antagonist pharmaceuticals LANTHEUS HOLDINGS, INC. 2003-06-19 US disclosed
US-20030103898-A1 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent LANTHEUS MEDICAL IMAGING, INC. 2003-06-05 US disclosed
US-6524553-B2 A compound, comprising: a targeting moiety and a chelator, wherein the targeting moiety is bound to the chelator, is a qinolone nonpeptide, and binds to a receptor that is upregulated during angiogenesis BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-02-25 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
US-20020061909-A1 Vitronectin receptor antagonist pharmaceuticals LANTHEUS MI REAL ESTATE, LLC 2002-05-23 US disclosed
US-20020015680-A1 QUINOLONE VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS CITIZENS BANK, N.A. 2002-02-07 US 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 (7 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-20030124120-A1 Quinolone vitronectin receptor antagonist pharmaceuticals ADGRF1, QRFPR, ADGRE5 CAMK2D 1759/4885DYRK1A 3511/4885DRD2 326/4885
US-20030103898-A1 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent TNNI3, ASGR1, TNNT2 CAMK2D 2093/4885DYRK1A 2996/4885DRD2 3023/4885
US-20020015680-A1 QUINOLONE VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS ADGRF1, QRFPR, ADGRE5 CAMK2D 1759/4885DYRK1A 3511/4885DRD2 326/4885
US-20030232053-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 CAMK2D 1194/4885DYRK1A 3347/4885DRD2 456/4885
US-20030113336-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 CAMK2D 1359/4885DYRK1A 3295/4885DRD2 622/4885
US-20020061909-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 CAMK2D 1194/4885DYRK1A 3347/4885DRD2 456/4885
US-20020182147-A1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS ADGRF1, RXFP1, VCAM1 CAMK2D 1194/4885DYRK1A 3347/4885DRD2 456/4885

“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.