SCHEMBL2030679

SCHEMBL2030679

CCC(CC)(c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccccc3C(=O)N3CCN(C)CC3)n2)c(OC)c1)P(=O)(O)O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 13/20 0.58
▸ PTK2 Q05397 1/20 0.57
▸ LRRK2 Q5S007 5/20 0.53
▸ TTK P33981 1/20 0.51
▸ MAP4K1 Q92918 1/20 0.51

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
SCHEMBL2033408 0.94 LRRK2 (0.58) ALKPTK2LRRK2TTK
SCHEMBL2033907 0.88 PTK2 (0.53) PTK2LRRK2
SCHEMBL2031292 0.88 PTK2 (0.66) ALKPTK2LRRK2
SCHEMBL2029362 0.88 PTK2 (0.56) ALKPTK2LRRK2
SCHEMBL2637009 0.87 ALK (0.59) ALKPTK2LRRK2TTKMAP4K1
SCHEMBL2033915 0.87 PTK2 (0.57) ALKPTK2LRRK2
SCHEMBL2033479 0.87 ALK (0.57) ALKPTK2LRRK2
SCHEMBL2032374 0.86 PTK2 (0.55) ALKPTK2LRRK2
SCHEMBL12586988 0.85 ALK (0.56) ALKPTK2LRRK2MAP4K1
SCHEMBL2052382 0.82 LRRK2 (0.52) ALKLRRK2TTK

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 ALK 872/4885PTK2 2/4885LRRK2 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.

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