SCHEMBL2031295

SCHEMBL2031295

CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(C4CCC(OCOP(=O)(O)O)CC4)c4c3C(=O)N(C)C4)n2)c(OC)c1)OCC

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 13/20 0.45
ALK Q9UM73 3/20 0.43
LRRK2 Q5S007 4/20 0.41

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
SCHEMBL2031288 1.00 PTK2 (0.45) PTK2ALKLRRK2
SCHEMBL2031284 0.96 PTK2 (0.46) PTK2ALKLRRK2
SCHEMBL2033944 0.95 PTK2 (0.48) PTK2ALKLRRK2
SCHEMBL2036291 0.95 PTK2 (0.48) PTK2ALKLRRK2
SCHEMBL12587163 0.93 PTK2 (0.46) PTK2ALKLRRK2
SCHEMBL2028985 0.92 PTK2 (0.46) PTK2ALKLRRK2
SCHEMBL2034082 0.92 PTK2 (0.47) PTK2ALKLRRK2
SCHEMBL2033498 0.92 PTK2 (0.47) PTK2ALKLRRK2
Hydrochloric Acid SCHEMBL2036524 0.91 PTK2 (0.47) PTK2ALKLRRK2
SCHEMBL2641685 0.91 PTK2 (0.48) PTK2ALKLRRK2

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 6 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-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
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
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 2/4885ALK 872/4885LRRK2 854/4885
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS PTK2 2/4885ALK 872/4885LRRK2 854/4885

“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.