SCHEMBL2030397

SCHEMBL2030397

CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CP(=O)(OCCOC)OCCOC)cc2OC)ncc1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 7/20 0.62
JAK2 O60674 2/20 0.55
KDR P35968 2/20 0.55
PTK2B Q14289 2/20 0.55
NTRK1 P04629 1/20 0.55
TYK2 P29597 1/20 0.55
JAK3 P52333 1/20 0.55
NTRK3 Q16288 1/20 0.55
NTRK2 Q16620 1/20 0.55
LRRK2 Q5S007 8/20 0.53
ALK Q9UM73 4/20 0.48
MET P08581 2/20 0.48
CDC7 O00311 1/20 0.48
PLK4 O00444 1/20 0.48
CHEK1 O14757 1/20 0.48
AURKA O14965 1/20 0.48
DCLK1 O15075 1/20 0.48
PDPK1 O15530 1/20 0.48
DAPK3 O43293 1/20 0.48
DYRK3 O43781 1/20 0.48

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
SCHEMBL2032878 0.95 PTK2 (0.61) PTK2JAK2KDRPTK2BNTRK1
SCHEMBL2035958 0.94 PTK2 (0.62) PTK2JAK2KDRPTK2BNTRK1
SCHEMBL2051755 0.93 PTK2 (0.63) PTK2JAK2KDRPTK2BNTRK1
SCHEMBL2031289 0.93 PTK2 (0.63) PTK2JAK2KDRPTK2BNTRK1
SCHEMBL2637127 0.90 PTK2 (0.66) PTK2JAK2KDRPTK2BNTRK1
SCHEMBL2637101 0.90 PTK2 (0.66) PTK2JAK2KDRPTK2BNTRK1
SCHEMBL2029569 0.90 PTK2 (0.62) PTK2JAK2KDRPTK2BNTRK1
SCHEMBL2035048 0.89 PTK2 (0.63) PTK2JAK2KDRPTK2BNTRK1
SCHEMBL2030965 0.88 PTK2 (0.65) PTK2JAK2KDRPTK2BNTRK1
SCHEMBL2033910 0.87 PTK2 (0.55) PTK2JAK2KDRPTK2BNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096624-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2015-08-04 US disclosed
US-9096624-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2015-08-04 US disclosed
US-9096624-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2015-08-04 US disclosed
US-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2013-09-05 US disclosed
US-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2013-09-05 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
US-8399433-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2013-03-19 US disclosed
US-8399433-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2013-03-19 US disclosed
EP-2438056-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2012-04-11 EP disclosed
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2011-06-09 US disclosed
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2011-06-09 US disclosed
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2011-06-09 US disclosed
WO-2010141406-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2010-12-09 WO 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 PTK2 2/4885JAK2 15/4885KDR 596/4885
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS PTK2 2/4885JAK2 15/4885KDR 596/4885

“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.