SCHEMBL2637046

SCHEMBL2637046

CN1CCc2cccc(Nc3nc(Nc4ccc(CP(=O)(O)O)cc4)ncc3C(F)(F)F)c2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.46
▸ KIT P10721 1/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ ULK1 O75385 2/20 0.45
▸ PTK2 Q05397 10/20 0.44
▸ MAP4K1 Q92918 1/20 0.44
▸ LRRK2 Q5S007 1/20 0.43
▸ 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
▸ AURKB Q96GD4 1/20 0.43
▸ CDC7 O00311 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ PIM1 P11309 1/20 0.42

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
SCHEMBL2035831 0.89 PTK2 (0.47) CHEK1KITFLT3ULK1PTK2
SCHEMBL2035832 0.87 PTK2 (0.44) CHEK1KITFLT3ULK1PTK2
SCHEMBL15226696 0.82 PTK2 (0.46) ULK1PTK2KDRJAK2NTRK1
SCHEMBL2637788 0.82 PTK2 (0.45) PTK2KDRJAK2NTRK1TYK2
SCHEMBL2637035 0.82 PTK2 (0.44) CHEK1KITFLT3PTK2LRRK2
SCHEMBL2637440 0.81 LRRK2 (0.43) CHEK1KITFLT3PTK2LRRK2
SCHEMBL2637631 0.81 EGFR (0.44) KITFLT3PTK2LRRK2BTK
SCHEMBL2032989 0.81 LRRK2 (0.44) KITFLT3PTK2LRRK2KDR
SCHEMBL2637361 0.80 KIT (0.45) KITFLT3PTK2LRRK2FGFR1
SCHEMBL2636859 0.80 LRRK2 (0.49) PTK2MAP4K1LRRK2KDRJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096624-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2015-08-04 — — US disclosed
US-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2013-09-05 — — US disclosed
EP-2438056-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2012-04-11 — — EP disclosed
WO-2010141406-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2010-12-09 — — WO 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-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS CHEK1 26/4885KIT 1208/4885FLT3 27/4885

“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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