SCHEMBL3942585

SCHEMBL3942585

C=CCOc1cccc2c(=O)cc(N3CCOCC3)oc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 3/20 0.74
PRKDC P78527 16/20 0.68
PIK3CA P42336 3/20 0.61
PIK3R1 P27986 2/20 0.56
MTOR P42345 2/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
PIK3CD O00329 1/20 0.56
PDE2A O00408 1/20 0.56
PIK3C2A O00443 1/20 0.56
PIK3R2 O00459 1/20 0.56
PIK3C2B O00750 1/20 0.56
BRD4 O60885 1/20 0.56
PDE5A O76074 1/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
PIM1 P11309 1/20 0.56

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
SCHEMBL7316808 0.85 P2RY12 (1.00) P2RY12
SCHEMBL7328250 0.82 PRKDC (0.68) P2RY12PRKDCPIK3CAPIK3R1MTOR
SCHEMBL910153 0.82 PRKDC (0.84) P2RY12PRKDCPIK3CAPIK3R1MTOR
SCHEMBL3542889 0.81 PRKDC (1.00) P2RY12PRKDCPIK3CAPIK3R1MTOR
SCHEMBL7319895 0.81 PRKDC (0.64) P2RY12PRKDCPIK3CAPIK3R1MTOR
SCHEMBL7317064 0.81 PRKDC (0.68) P2RY12PRKDCPIK3CAPIK3R1MTOR
SCHEMBL7327041 0.80 PRKDC (0.70) P2RY12PRKDC
SCHEMBL7328002 0.80 P2RY12 (0.76) P2RY12PRKDCPIK3CA
SCHEMBL7326734 0.80 P2RY12 (0.82) P2RY12PRKDCPIK3CAPIK3R1MTOR
SCHEMBL8882123 0.80 P2RY12 (0.75) P2RY12PRKDCPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5703075-A Antiatherosclerotic and antithrombotic 1-benzopyran-4-ones and 2-amino-1,3-benzoxazine-4-ones PHARMACIA & UPJOHN COMPANY (US) 1997-12-30 US claimed
WO-1991019707-A2 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES THE UPJOHN COMPANY (US) 1991-12-26 WO claimed
US-20090326223-A1 SYNTHESIS OF 2-AMINO-SUBSTITUTED 4-OXO-4H-CHROMEN-8.YL-TRIFLUORO-METHANESULFONIC ACID ESTERS THE UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2009-12-31 US disclosed
US-20090326223-A1 SYNTHESIS OF 2-AMINO-SUBSTITUTED 4-OXO-4H-CHROMEN-8.YL-TRIFLUORO-METHANESULFONIC ACID ESTERS THE UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2009-12-31 US disclosed
US-20090326223-A1 SYNTHESIS OF 2-AMINO-SUBSTITUTED 4-OXO-4H-CHROMEN-8.YL-TRIFLUORO-METHANESULFONIC ACID ESTERS THE UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2009-12-31 US disclosed
EP-2046768-A1 SYNTHESIS OF 2-AMINO-SUBSTITUTED 4-OXO-4H-CHROMEN-8.YL-TRIFLUORO-METHANESULFONIC ACID ESTERS Kudos Pharmaceuticals Limited (GB) 2009-04-15 EP disclosed
WO-2008009934-A1 SYNTHESIS OF 2-AMINO-SUBSTITUTED 4-OXO-4H-CHROMEN-8.YL-TRIFLUORO-METHANESULFONIC ACID ESTERS KUDOS PHARMACEUTICALS LIMITED (GB) 2008-01-24 WO disclosed
US-5703075-A Antiatherosclerotic and antithrombotic 1-benzopyran-4-ones and 2-amino-1,3-benzoxazine-4-ones PHARMACIA & UPJOHN COMPANY (US) 1997-12-30 US disclosed
WO-1991019707-A2 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES THE UPJOHN COMPANY (US) 1991-12-26 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 (1 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-20090326223-A1 SYNTHESIS OF 2-AMINO-SUBSTITUTED 4-OXO-4H-CHROMEN-8.YL-TRIFLUORO-METHANESULFONIC ACID ESTERS XRN2, ASNS, CYP2B6 P2RY12 4122/4885PRKDC 3597/4885PIK3CA 1369/4885

“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.