SCHEMBL2641450

SCHEMBL2641450

CN(C)C(=O)c1cc([C@H]2CC[C@H](O)CC2)ccc1Nc1nc(Nc2ccc(CP(=O)(O)O)cc2)ncc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 2/20 0.47
▸ FLT3 P36888 4/20 0.45
▸ EGFR P00533 4/20 0.45
▸ KIT P10721 3/20 0.45
▸ AURKA O14965 1/20 0.45
▸ NTRK1 P04629 1/20 0.45
▸ CDK1 P06493 1/20 0.45
▸ IGF1R P08069 1/20 0.45
▸ EPHA1 P21709 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ BMX P51813 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ CDK6 Q00534 1/20 0.45
▸ PAK1 Q13153 1/20 0.45
▸ PTK2 Q05397 9/20 0.42
▸ CDC7 O00311 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ PRKACA P17612 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
SCHEMBL2641458 1.00 ALK (0.47) ALKFLT3EGFRKITAURKA
SCHEMBL2640890 0.91 ALK (0.48) ALKFLT3KITNTRK1JAK3
SCHEMBL14768021 0.91 ALK (0.48) ALKFLT3KITNTRK1JAK3
SCHEMBL2640886 0.91 ALK (0.48) ALKFLT3KITNTRK1JAK3
SCHEMBL12586898 0.91 PTK2 (0.47) ALKFLT3EGFRKITAURKA
SCHEMBL2032176 0.91 PTK2 (0.47) ALKFLT3EGFRKITAURKA
SCHEMBL2641480 0.90 ALK (0.57) ALKEGFR
SCHEMBL2641425 0.90 ALK (0.57) ALKEGFR
SCHEMBL2641418 0.90 ALK (0.57) ALKEGFR
SCHEMBL2032180 0.88 ALK (0.47) ALKFLT3EGFRKITAURKA

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 ALK 872/4885FLT3 27/4885EGFR 156/4885

“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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