SCHEMBL2637236

SCHEMBL2637236

Nc1ccc(CP(=O)(O)O)cc1Br

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 9/20 0.42
PGK2 P07205 9/20 0.42
ACP3 P15309 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
FBP1 P09467 1/20 0.39
ENPP2 Q13822 1/20 0.39

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
SCHEMBL4406417 0.82 PGK1 (0.46) PGK1PGK2ACP3THRATHRB
SCHEMBL9275830 0.81 PGK1 (0.50) PGK1PGK2ACP3THRATHRB
SCHEMBL2637218 0.78 CYP3A4 (0.57) PGK1PGK2ACP3THRB
SCHEMBL9277395 0.78 ACP3 (0.45) PGK1PGK2ACP3CA12CA1
SCHEMBL11501606 0.76 PGK1 (0.43) PGK1PGK2ACP3FBP1ENPP2
SCHEMBL2032181 0.75 HDAC1 (0.42) CA12CA1CA2CA4CA6
SCHEMBL3934999 0.74 CA2 (0.42) CA12CA1CA2CA4CA6
SCHEMBL2636910 0.74 ALDH1A1 (0.61) PGK1PGK2
SCHEMBL1300912 0.73 GAA (0.54) CA12CA1CA2CA4CA6
SCHEMBL1617420 0.72 PGK1 (0.67) PGK1PGK2ACP3ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646448-B1 MACROCYCLIC KINASE INHIBITORS OSI PHARMACEUTICALS LLC (US) 2017-08-30 EP disclosed
US-9133224-B2 Macrocyclic kinase inhibitors OSI Pharmaceuticals, LLC (US) 2015-09-15 US disclosed
US-9096624-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2015-08-04 US disclosed
EP-2646448-A1 MACROCYCLIC KINASE INHIBITORS OSI Pharmaceuticals, LLC (US) 2013-10-09 EP disclosed
US-20130261086-A1 MACROCYCLIC KINASE INHIBITORS OSI Pharmaceuticals, LLC (US) 2013-10-03 US disclosed
US-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2013-09-05 US disclosed
US-8399433-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2013-03-19 US disclosed
WO-2012074951-A1 MACROCYCLIC KINASE INHIBITORS OSI Pharmaceuticals, LLC (US) 2012-06-07 WO disclosed
EP-2438056-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2012-04-11 EP disclosed
WO-2010141406-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2010-12-09 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-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS PGK1 240/4885PGK2 245/4885ACP3 3558/4885
US-20130261086-A1 MACROCYCLIC KINASE INHIBITORS PTK2, SRC, PTK2B PGK1 426/4885PGK2 313/4885ACP3 2030/4885

“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.