SCHEMBL2027770

SCHEMBL2027770

CCOc1cc(CP(=O)(OCC)OCC)ccc1Nc1ncc(C(F)(F)F)c(Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 14/20 0.43
PTK2 Q05397 3/20 0.41
BTK Q06187 2/20 0.40
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL2028041 0.94 LRRK2 (0.48) LRRK2PTK2
SCHEMBL2637831 0.90 LRRK2 (0.46) LRRK2
SCHEMBL2033501 0.86 LRRK2 (0.47) LRRK2PTK2
SCHEMBL2031014 0.85 LRRK2 (0.49) LRRK2PTK2
SCHEMBL2034441 0.85 LRRK2 (0.47) LRRK2PTK2
SCHEMBL15284677 0.84 LRRK2 (0.47) LRRK2PTK2
SCHEMBL2031827 0.84 PTK2 (0.53) PTK2BTK
SCHEMBL2033545 0.81 LRRK2 (0.50) LRRK2
SCHEMBL9276086 0.80 LRRK2 (0.50) LRRK2
SCHEMBL2637294 0.80 LRRK2 (0.51) LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399433-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2013-03-19 US disclosed
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2011-06-09 US 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 (1 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-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS LRRK2 854/4885PTK2 2/4885BTK 42/4885

“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.