SCHEMBL2035832

SCHEMBL2035832

CCC(CC)(c1ccc(Nc2ncc(C(F)(F)F)c(Nc3cccc4c3C(=O)N(C)CC4)n2)cc1)P(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 10/20 0.44
▸ CHEK1 O14757 1/20 0.44
▸ KIT P10721 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ ULK1 O75385 2/20 0.44
▸ KDR P35968 2/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ NTRK1 P04629 1/20 0.43
▸ TYK2 P29597 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ PTK2B Q14289 1/20 0.43
▸ NTRK3 Q16288 1/20 0.43
▸ NTRK2 Q16620 1/20 0.43
▸ EGFR P00533 3/20 0.43
▸ MAP4K1 Q92918 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ BRD4 O60885 1/20 0.41

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
SCHEMBL2637046 0.87 CHEK1 (0.46) PTK2CHEK1KITFLT3ULK1
SCHEMBL2035831 0.83 PTK2 (0.47) PTK2CHEK1KITFLT3ULK1
SCHEMBL2037392 0.83 PTK2 (0.45) PTK2KDRJAK2NTRK1TYK2
SCHEMBL2035228 0.83 PTK2 (0.46) PTK2ULK1KDRJAK2NTRK1
SCHEMBL2034806 0.82 PTK2 (0.43) PTK2CHEK1KITFLT3EGFR
SCHEMBL2028827 0.82 LRRK2 (0.42) PTK2CHEK1KITFLT3KDR
SCHEMBL2029806 0.82 LRRK2 (0.43) PTK2KITFLT3KDRJAK2
SCHEMBL2035270 0.82 EGFR (0.44) PTK2FLT3ULK1EGFRLRRK2
SCHEMBL2034472 0.81 PTK2 (0.44) PTK2KITFLT3EGFRLRRK2
SCHEMBL2032365 0.81 LRRK2 (0.43) PTK2KDRJAK2NTRK1TYK2

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 PTK2 2/4885CHEK1 26/4885KIT 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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