SCHEMBL2033408

SCHEMBL2033408

CCC(CC)(c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccccc3C(=O)N3CCCC3)n2)c(OC)c1)P(=O)(O)O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 10/20 0.58
▸ PTK2 Q05397 1/20 0.58
▸ ALK Q9UM73 8/20 0.53
▸ TTK P33981 1/20 0.52
▸ MAPK3 P27361 1/20 0.50

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
SCHEMBL2030679 0.94 ALK (0.58) LRRK2PTK2ALKTTK
SCHEMBL2029362 0.89 PTK2 (0.56) LRRK2PTK2ALKMAPK3
SCHEMBL2031292 0.89 PTK2 (0.66) LRRK2PTK2ALK
SCHEMBL2033479 0.88 ALK (0.57) LRRK2PTK2ALKMAPK3
SCHEMBL2033915 0.88 PTK2 (0.57) LRRK2PTK2ALKMAPK3
SCHEMBL2032374 0.88 PTK2 (0.55) LRRK2PTK2ALK
SCHEMBL2054041 0.87 PTK2 (0.53) PTK2
SCHEMBL2637530 0.87 LRRK2 (0.60) LRRK2PTK2ALKTTKMAPK3
SCHEMBL2052382 0.86 LRRK2 (0.52) LRRK2ALKTTK
SCHEMBL2033403 0.84 LRRK2 (0.57) LRRK2PTK2ALKTTKMAPK3

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 2/4885ALK 872/4885

“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.

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