SCHEMBL5754677

SCHEMBL5754677

CCOP(=O)(OCC)C(c1ccc(Br)cc1)P(=O)(OCC)OCC

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
MEN1 O00255 2/20 0.55
GAA P10253 3/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
LMNA P02545 3/20 0.47
POLB P06746 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PTGS2 P35354 2/20 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
SCHEMBL4262591 0.85 KMT2A (0.55) KMT2ANPSR1MEN1GAACA12
SCHEMBL7088667 0.83 CA12 (0.49) KMT2ANPSR1MEN1GAACA12
SCHEMBL24658682 0.82 KMT2A (0.52) KMT2ANPSR1MEN1GAACA12
SCHEMBL30901404 0.82 KMT2A (0.52) KMT2ANPSR1MEN1GAACA12
SCHEMBL7828967 0.82 POLB (0.44) KMT2ANPSR1MEN1GAACA12
SCHEMBL9004471 0.81 POLB (0.50) KMT2ANPSR1MEN1GAACA12
SCHEMBL5664657 0.81 POLB (0.50) KMT2ANPSR1MEN1GAACA12
SCHEMBL5754683 0.81 KMT2A (0.43) KMT2ANPSR1MEN1GAACA12
SCHEMBL7160912 0.81 POLB (0.68) KMT2ANPSR1MEN1LMNAPOLB
SCHEMBL3586790 0.81 KMT2A (0.51) KMT2ANPSR1MEN1GAACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1408985-A4 NOVEL PYRIDOPYRIMIDONES AND USES THEREOF ARIAD PHARMA INC (US) 2006-03-22 EP disclosed
EP-1408985-A1 NOVEL PYRIDOPYRIMIDONES AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2004-04-21 EP disclosed
US-20030100572-A1 Novel pyridopyrimidones and uses thereof ARIAD PHARMACEUTICALS,INC. 2003-05-29 US disclosed
WO-2003000270-A1 NOVEL PYRIDOPYRIMIDONES AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2003-01-03 WO disclosed
EP-1246829-A1 NOVEL HETEROCYCLES ARIAD PHARMACEUTICALS, INC. (US) 2002-10-09 EP disclosed
US-20020103161-A1 Novel heterocycles ARIAD PHARMACEUTICALS, INC. 2002-08-01 US disclosed
WO-2001044258-A1 NOVEL HETEROCYCLES ARIAD PHARMACEUTICALS, INC. (US) 2001-06-21 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 (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-20030100572-A1 Novel pyridopyrimidones and uses thereof UQCRB, RRM2B, CYP2B6 KMT2A 3838/4885NPSR1 1093/4885MEN1 1770/4885
US-20020103161-A1 Novel heterocycles BMP2, SOST, BMP4 KMT2A 3040/4885NPSR1 906/4885MEN1 289/4885

“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.