SCHEMBL2029937

SCHEMBL2029937

CCC(CC)(c1ccc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)NC)n2)cc1)P(=O)(O)O

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 14/20 0.66
▸ MAPK8 P45983 1/20 0.64
▸ MAPK9 P45984 1/20 0.64
▸ MAPK10 P53779 1/20 0.64
▸ INSR P06213 1/20 0.64
▸ IGF1R P08069 1/20 0.64
▸ PTK2B Q14289 1/20 0.64
▸ PKMYT1 Q99640 1/20 0.64
▸ ULK1 O75385 2/20 0.63
▸ SLC2A1 P11166 1/20 0.63
▸ HDAC3 O15379 1/20 0.61
▸ HDAC1 Q13547 1/20 0.61
▸ HDAC2 Q92769 1/20 0.61
▸ HDAC6 Q9UBN7 1/20 0.61
▸ EGFR P00533 1/20 0.59
▸ MET P08581 1/20 0.59
▸ ALK Q9UM73 1/20 0.59

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
SCHEMBL2035656 0.89 MAPK8 (0.56) PTK2MAPK8MAPK9MAPK10INSR
SCHEMBL2030368 0.88 PTK2 (0.61) PTK2PTK2B
SCHEMBL22144557 0.84 ULK1 (0.81) PTK2MAPK8MAPK9MAPK10INSR
SCHEMBL2637033 0.83 PTK2 (0.79) PTK2MAPK8MAPK9MAPK10INSR
SCHEMBL2033552 0.81 PTK2 (0.57) PTK2MAPK8MAPK9MAPK10INSR
SCHEMBL29034824 0.81 PTK2 (0.72) PTK2MAPK8MAPK9MAPK10INSR
SCHEMBL2034319 0.80 CDC7 (0.56) PTK2PTK2B
SCHEMBL2029934 0.80 PTK2 (1.00) PTK2MAPK8MAPK9MAPK10INSR
SCHEMBL25668076 0.79 PTK2 (0.84) PTK2MAPK8MAPK9MAPK10INSR
SCHEMBL17547514 0.78 ULK1 (1.00) PTK2MAPK8MAPK9MAPK10INSR

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 2/4885MAPK8 804/4885MAPK9 548/4885

“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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