SCHEMBL3146601

SCHEMBL3146601

CCOC(=O)c1cc(C)n(-c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.67
PDE4D Q08499 4/20 0.67
KMT2A Q03164 2/20 0.65
MEN1 O00255 1/20 0.65
ALOX12 P18054 1/20 0.65
PDE4A P27815 3/20 0.56
PDE4C Q08493 3/20 0.56
SLC5A1 P13866 1/20 0.55
SLC5A2 P31639 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
CA9 Q16790 1/20 0.52
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
ELANE P08246 1/20 0.48
CACNA1F O60840 1/20 0.47
ADORA3 P0DMS8 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
SCHEMBL537273 0.91 PDE4B (0.67) PDE4BPDE4DKMT2AMEN1ALOX12
SCHEMBL10317229 0.89 PDE4B (0.68) PDE4BPDE4DKMT2AMEN1ALOX12
SCHEMBL2193937 0.81 CA9 (0.57) PDE4BPDE4DKMT2AMEN1ALOX12
SCHEMBL3299372 0.81 KMT2A (0.68) PDE4DKMT2AMEN1ALOX12CA9
SCHEMBL3159012 0.81 KMT2A (0.52) KMT2AMEN1SMN1; SMN2CA9MAPT
SCHEMBL3831470 0.81 KMT2A (0.52) KMT2AMEN1ALOX12MAPTGAA
SCHEMBL2201643 0.81 PDE4D (1.00) PDE4BPDE4DKMT2AMEN1ALOX12
SCHEMBL7473041 0.81 PDE4B (0.72) PDE4BPDE4DKMT2AMEN1ALOX12
SCHEMBL17293124 0.81 GABRA2 (0.56) PDE4BPDE4DKMT2AMEN1ALOX12
SCHEMBL30583450 0.81 PDE4D (1.00) PDE4BPDE4DKMT2AMEN1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751113-B1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-10 EP disclosed
US-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
EP-1751113-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS Bristol-Myers Squibb Pharma Company (US) 2007-02-14 EP disclosed
WO-2005113511-A9 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2006-02-02 WO disclosed
WO-2005113511-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-01 WO disclosed
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 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 (2 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-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 PDE4B 380/4885PDE4D 641/4885KMT2A 4568/4885
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions P2RY1, P2RY11, P2RY2 PDE4B 380/4885PDE4D 641/4885KMT2A 4568/4885

“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.