SCHEMBL14699396

SCHEMBL14699396

CC(C)(C)OC(=O)C[C@H](N)c1cncc(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
KDM4E B2RXH2 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
RAB9A P51151 2/20 0.35
HTT P42858 2/20 0.35
PKM P14618 1/20 0.34
POLB P06746 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 2/20 0.33
MAPT P10636 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
KCNA5 P22460 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL14699398 1.00 CYP1A2 (0.37) CYP1A2CYP3A4CYP2C19KDM4EAAK1
SCHEMBL5049596 0.85 KCNA5 (0.43) CYP1A2CYP3A4CYP2C19KDM4ERAB9A
SCHEMBL14714190 0.84 CYP2D6 (0.31)
SCHEMBL3861120 0.83 MKNK1 (0.37) CYP3A4MTNR1AMTNR1BL3MBTL1
SCHEMBL3861123 0.83 MKNK1 (0.37) CYP3A4MTNR1AMTNR1BL3MBTL1
SCHEMBL6985627 0.81 CYP2D6 (0.34) CYP3A4KDM4E
SCHEMBL7947620 0.81 HDAC4 (0.33) KDM4ESMN1; SMN2
SCHEMBL7947624 0.81 HDAC4 (0.33) KDM4ESMN1; SMN2
SCHEMBL25453027 0.79 GGPS1 (0.35) KDM4ERAB9ANPC1
SCHEMBL15956030 0.78 CASP3 (0.48) KDM4ERAB9AHTTPOLBHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9744252-B2 Compounds for binding to the platelet specific glycoprotein IIb/IIIa and their use for imaging of thrombi PIRAMAL IMAGING SA (CH) 2017-08-29 US disclosed
US-9744252-B2 Compounds for binding to the platelet specific glycoprotein IIb/IIIa and their use for imaging of thrombi PIRAMAL IMAGING SA (CH) 2017-08-29 US disclosed
US-9744252-B2 Compounds for binding to the platelet specific glycoprotein IIb/IIIa and their use for imaging of thrombi PIRAMAL IMAGING SA (CH) 2017-08-29 US disclosed
US-20170008876-A1 Metal Chelate Compounds for Binding to the Platelet Specific Glycoprotein IIb/IIIa BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-12 US disclosed
US-20170008876-A1 Metal Chelate Compounds for Binding to the Platelet Specific Glycoprotein IIb/IIIa BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-12 US disclosed
EP-2744802-B1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA AND THEIR USE FOR IMAGING OF THROMBI PIRAMAL IMAGING SA (CH) 2017-01-04 EP disclosed
EP-2744802-B1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA AND THEIR USE FOR IMAGING OF THROMBI PIRAMAL IMAGING SA (CH) 2017-01-04 EP disclosed
US-9345793-B2 Compounds for binding to the platelet specific glycoprotein IIB/IIIA and their use for imaging of thrombi PIRAMAL IMAGING SA (CH) 2016-05-24 US disclosed
US-9345793-B2 Compounds for binding to the platelet specific glycoprotein IIB/IIIA and their use for imaging of thrombi PIRAMAL IMAGING SA (CH) 2016-05-24 US disclosed
US-9345793-B2 Compounds for binding to the platelet specific glycoprotein IIB/IIIA and their use for imaging of thrombi PIRAMAL IMAGING SA (CH) 2016-05-24 US disclosed
US-20160008490-A1 METAL CHELATE COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-01-14 US disclosed
WO-2015121163-A1 METAL CHELATE COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-20 WO disclosed
US-20140314669-A1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA AND THEIR USE FOR IMAGING OF THROMBI PIRAMAL IMAGING SA (CH) 2014-10-23 US disclosed
US-20140314669-A1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA AND THEIR USE FOR IMAGING OF THROMBI PIRAMAL IMAGING SA (CH) 2014-10-23 US disclosed
US-20140314669-A1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA AND THEIR USE FOR IMAGING OF THROMBI PIRAMAL IMAGING SA (CH) 2014-10-23 US disclosed
WO-2014124943-A1 METAL CHELATE COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-08-21 WO disclosed
CN-103906743-A Compounds for binding to the platelet specific glycoprotein IIb/IIIa and their use for imaging of thrombi PIRAMAL IMAGING SA 2014-07-02 CN disclosed
EP-2744802-A1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA AND THEIR USE FOR IMAGING OF THROMBI Piramal Imaging SA (CH) 2014-06-25 EP disclosed
WO-2013023795-A1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA AND THEIR USE FOR IMAGING OF THROMBI PIRAMAL IMAGING SA (CH) 2013-02-21 WO disclosed
WO-2013023795-A1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA AND THEIR USE FOR IMAGING OF THROMBI PIRAMAL IMAGING SA (CH) 2013-02-21 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 (3 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-20170008876-A1 Metal Chelate Compounds for Binding to the Platelet Specific Glycoprotein IIb/IIIa GP6, ITGA2B, F13B CYP1A2 4353/4885CYP3A4 3952/4885CYP2C19 3747/4885
US-20140314669-A1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA AND THEIR USE FOR IMAGING OF THROMBI F13B, FGB, SELPLG CYP1A2 3043/4885CYP3A4 2049/4885CYP2C19 1546/4885
US-20160008490-A1 METAL CHELATE COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA GP6, F13B, ITGA2B CYP1A2 4063/4885CYP3A4 3514/4885CYP2C19 3390/4885

“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.