SCHEMBL2035005

SCHEMBL2035005

CCO[C@H]1CC[C@@H](c2ccc(Nc3nc(Nc4ccc(C(CC)(CC)P(=O)(O)O)cc4)ncc3C(F)(F)F)c3c2CN(C)C3=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 14/20 0.40
▸ LRRK2 Q5S007 2/20 0.40
▸ KIT P10721 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ ALK Q9UM73 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ PTK2B Q14289 1/20 0.37
▸ NTRK3 Q16288 1/20 0.37
▸ NTRK2 Q16620 1/20 0.37
▸ EGFR P00533 2/20 0.36

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
SCHEMBL2031282 1.00 PTK2 (0.40) PTK2LRRK2KITFLT3ALK
SCHEMBL2036440 0.93 FLT3 (0.40) PTK2LRRK2KITFLT3ALK
SCHEMBL2034806 0.91 PTK2 (0.43) PTK2LRRK2KITFLT3ALK
SCHEMBL2033950 0.91 ALK (0.46) PTK2LRRK2ALK
SCHEMBL2036298 0.91 ALK (0.46) PTK2LRRK2ALK
SCHEMBL2032098 0.91 FLT3 (0.41) PTK2LRRK2KITFLT3EGFR
SCHEMBL14767934 0.90 LRRK2 (0.41) PTK2LRRK2KITFLT3ALK
SCHEMBL2641701 0.90 LRRK2 (0.41) PTK2LRRK2KITFLT3ALK
SCHEMBL2641708 0.90 LRRK2 (0.41) PTK2LRRK2KITFLT3ALK
SCHEMBL2031337 0.87 FLT3 (0.40) PTK2LRRK2KITFLT3ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTK2 2/4885LRRK2 854/4885KIT 1208/4885

“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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