SCHEMBL2033907

SCHEMBL2033907

CCC(CC)(c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccccc3C(=O)N3CCN(C)CC3)n2)cc1)P(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 7/20 0.53
▸ AXL P30530 3/20 0.53
▸ KDR P35968 2/20 0.52
▸ AURKB Q96GD4 1/20 0.52
▸ CDC7 O00311 1/20 0.51
▸ ROCK2 O75116 1/20 0.51
▸ MAP4K4 O95819 1/20 0.51
▸ PIM1 P11309 1/20 0.51
▸ PRKACA P17612 1/20 0.51
▸ CDK7 P50613 1/20 0.51
▸ CDK9 P50750 1/20 0.51
▸ HIPK2 Q9H2X6 1/20 0.51
▸ IRAK4 Q9NWZ3 1/20 0.51
▸ FLT3 P36888 3/20 0.51
▸ BTK Q06187 2/20 0.51
▸ EGFR P00533 2/20 0.49
▸ JAK2 O60674 1/20 0.48
▸ NTRK1 P04629 1/20 0.48
▸ TYK2 P29597 1/20 0.48
▸ JAK3 P52333 1/20 0.48

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
SCHEMBL2054041 0.94 PTK2 (0.53) PTK2AXLKDRAURKBCDC7
SCHEMBL2030679 0.88 ALK (0.58) PTK2LRRK2
SCHEMBL2637160 0.88 AXL (0.58) PTK2AXLKDRAURKBCDC7
SCHEMBL2030368 0.86 PTK2 (0.61) PTK2KDRAURKBCDC7ROCK2
SCHEMBL2034319 0.86 CDC7 (0.56) PTK2KDRAURKBCDC7ROCK2
SCHEMBL2051346 0.85 CDC7 (0.55) PTK2AXLKDRAURKBCDC7
SCHEMBL2033899 0.84 PTK2 (0.58) PTK2AXLKDRAURKBCDC7
SCHEMBL2033408 0.81 LRRK2 (0.58) PTK2LRRK2
SCHEMBL2035832 0.80 PTK2 (0.44) PTK2KDRAURKBFLT3EGFR
SCHEMBL2637816 0.80 AXL (0.57) PTK2AXLKDRAURKBCDC7

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 2/4885AXL 106/4885KDR 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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