SCHEMBL2032365

SCHEMBL2032365

CCOc1ccc(Nc2nc(Nc3ccc(C(CC)(CC)P(=O)(O)O)cc3)ncc2C(F)(F)F)c2c1CN(C)C2=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 5/20 0.43
▸ PTK2 Q05397 12/20 0.42
▸ KDR P35968 2/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ NTRK1 P04629 1/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ PTK2B Q14289 1/20 0.42
▸ NTRK3 Q16288 1/20 0.42
▸ NTRK2 Q16620 1/20 0.42
▸ AURKB Q96GD4 1/20 0.39
▸ ALK Q9UM73 2/20 0.39

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
SCHEMBL2029269 0.94 PTK2 (0.48) LRRK2PTK2KDRJAK2NTRK1
SCHEMBL2031302 0.92 LRRK2 (0.44) LRRK2PTK2KDRJAK2NTRK1
SCHEMBL2050302 0.90 ALK (0.48) LRRK2PTK2ALK
SCHEMBL2029806 0.90 LRRK2 (0.43) LRRK2PTK2KDRJAK2NTRK1
SCHEMBL2028827 0.88 LRRK2 (0.42) LRRK2PTK2KDRJAK2NTRK1
SCHEMBL2637349 0.88 LRRK2 (0.45) LRRK2PTK2KDRJAK2NTRK1
SCHEMBL2035270 0.86 EGFR (0.44) LRRK2PTK2ALK
SCHEMBL2035005 0.86 PTK2 (0.40) LRRK2PTK2KDRJAK2NTRK1
SCHEMBL2031282 0.86 PTK2 (0.40) LRRK2PTK2KDRJAK2NTRK1
SCHEMBL2052774 0.86 ALK (0.49) LRRK2PTK2ALK

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 2/4885KDR 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.

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