SCHEMBL2636876

SCHEMBL2636876

O=[PH](O)OCc1ccc(Nc2ncc(C(F)(F)F)c(Cl)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.47
PTK2 Q05397 11/20 0.45
STK17A Q9UEE5 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
KDR P35968 4/20 0.41
JAK2 O60674 1/20 0.41
NTRK1 P04629 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
PTK2B Q14289 1/20 0.41
NTRK3 Q16288 1/20 0.41
NTRK2 Q16620 1/20 0.41
CDK1 P06493 4/20 0.40
CDK2 P24941 4/20 0.40
ULK1 O75385 1/20 0.39
ULK2 Q8IYT8 1/20 0.39
SYK P43405 1/20 0.39
CCNT1 O60563 1/20 0.39
CDK4 P11802 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
SCHEMBL2636874 0.91 AURKA (0.46) AURKAPTK2STK17AGSK3AGSK3B
SCHEMBL2636828 0.89 PTK2 (0.43) AURKAPTK2STK17AGSK3AGSK3B
SCHEMBL2637211 0.83 PTK2 (0.46) AURKAPTK2STK17AGSK3AGSK3B
SCHEMBL29107109 0.82 AURKA (0.47) AURKAPTK2STK17AGSK3AGSK3B
SCHEMBL2637336 0.82 LRRK2 (0.48) PTK2
SCHEMBL2637157 0.81 PTK2 (0.44) AURKAPTK2STK17AGSK3AGSK3B
SCHEMBL2035702 0.81 PTK2 (0.44) AURKAPTK2STK17AGSK3AGSK3B
SCHEMBL1627493 0.81 AURKA (0.52) AURKAPTK2STK17AGSK3AGSK3B
SCHEMBL2637158 0.81 PTK2 (0.46) AURKAPTK2STK17AGSK3AGSK3B
SCHEMBL2028946 0.81 PTK2 (0.44) AURKAPTK2STK17AGSK3AGSK3B

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
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
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 AURKA 186/4885PTK2 2/4885STK17A 766/4885
US-20130261086-A1 MACROCYCLIC KINASE INHIBITORS PTK2, SRC, PTK2B AURKA 338/4885PTK2 1/4885STK17A 111/4885

“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.