SCHEMBL2640886

SCHEMBL2640886

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 1/20 0.48
▸ PTK2 Q05397 15/20 0.46
▸ KIT P10721 2/20 0.45
▸ FLT3 P36888 2/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ NTRK1 P04629 1/20 0.45
▸ TYK2 P29597 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ PTK2B Q14289 1/20 0.45
▸ NTRK3 Q16288 1/20 0.45
▸ NTRK2 Q16620 1/20 0.45
▸ FGFR1 P11362 2/20 0.45

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
SCHEMBL14768021 1.00 ALK (0.48) ALKPTK2KITFLT3JAK2
SCHEMBL2640890 1.00 ALK (0.48) ALKPTK2KITFLT3JAK2
SCHEMBL2641450 0.91 ALK (0.47) ALKPTK2KITFLT3NTRK1
SCHEMBL2641458 0.91 ALK (0.47) ALKPTK2KITFLT3NTRK1
SCHEMBL2030451 0.91 PTK2 (0.55) ALKPTK2JAK2NTRK1TYK2
SCHEMBL2034242 0.91 PTK2 (0.55) ALKPTK2JAK2NTRK1TYK2
SCHEMBL14767991 0.90 ALK (0.58) ALKPTK2JAK2NTRK1TYK2
SCHEMBL2640996 0.90 ALK (0.58) ALKPTK2JAK2NTRK1TYK2
SCHEMBL2640989 0.90 ALK (0.58) ALKPTK2JAK2NTRK1TYK2
SCHEMBL2034247 0.88 ALK (0.48) ALKPTK2KITFLT3JAK2

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 5 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
US-8399433-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2013-03-19 — — 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 872/4885PTK2 2/4885KIT 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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