SCHEMBL2636964

SCHEMBL2636964

CNC(=O)c1cc(-c2cnn(C3CC(O)C3)c2)ccc1Nc1nc(Nc2ccc(CP(=O)(O)O)cc2)ncc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 5/20 0.42
▸ PTK2 Q05397 13/20 0.42
▸ KDR P35968 2/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ PTK2B Q14289 1/20 0.41
▸ NTRK3 Q16288 1/20 0.41
▸ NTRK2 Q16620 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ LRRK2 Q5S007 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
SCHEMBL14767907 0.94 FGFR1 (0.42) FGFR1PTK2KDRJAK2NTRK1
SCHEMBL14767909 0.94 FGFR1 (0.42) FGFR1PTK2KDRJAK2NTRK1
SCHEMBL12586772 0.92 PTK2 (0.51) FGFR1PTK2KDRJAK2NTRK1
SCHEMBL2035153 0.89 PTK2 (0.44) FGFR1PTK2KDRJAK2NTRK1
SCHEMBL2637116 0.89 KDR (0.51) FGFR1PTK2KDRJAK2NTRK1
SCHEMBL2035830 0.86 PTK2 (0.50) FGFR1PTK2KDRJAK2NTRK1
SCHEMBL12974574 0.86 PTK2 (0.50) FGFR1PTK2KDRJAK2NTRK1
SCHEMBL2637310 0.86 FGFR1 (0.47) FGFR1PTK2KDRJAK2NTRK1
SCHEMBL2636967 0.85 FGFR1 (0.45) FGFR1PTK2KDRJAK2NTRK1
SCHEMBL2637244 0.84 PTK2 (0.43) FGFR1PTK2KDRJAK2NTRK1

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 FGFR1 285/4885PTK2 2/4885KDR 596/4885

“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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