SCHEMBL2035656

SCHEMBL2035656

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 4/20 0.56
▸ PTK2 Q05397 9/20 0.53
▸ PKMYT1 Q99640 2/20 0.51
▸ MAPK9 P45984 2/20 0.51
▸ MAPK10 P53779 2/20 0.51
▸ INSR P06213 1/20 0.51
▸ IGF1R P08069 1/20 0.51
▸ PTK2B Q14289 1/20 0.51
▸ HDAC3 O15379 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ SLC2A1 P11166 1/20 0.50
▸ ULK1 O75385 3/20 0.49
▸ EGFR P00533 1/20 0.49
▸ CDC7 O00311 1/20 0.48
▸ DAPK3 O43293 1/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ ROCK2 O75116 1/20 0.48
▸ PRKD3 O94806 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
SCHEMBL2029937 0.89 PTK2 (0.66) MAPK8PTK2PKMYT1MAPK9MAPK10
SCHEMBL2030368 0.88 PTK2 (0.61) PTK2PTK2BCDC7JAK2ROCK2
SCHEMBL2637710 0.83 PTK2 (0.63) MAPK8PTK2PKMYT1MAPK9MAPK10
SCHEMBL23764852 0.80 PTK2 (0.66) MAPK8PTK2PKMYT1MAPK9MAPK10
SCHEMBL2034319 0.80 CDC7 (0.56) PTK2PTK2BCDC7JAK2ROCK2
SCHEMBL2036906 0.80 PTK2 (0.54) PTK2PTK2BJAK2JAK3
SCHEMBL2035650 0.80 PTK2 (0.81) MAPK8PTK2PKMYT1HDAC3HDAC1
SCHEMBL30086278 0.79 PTK2 (0.59) MAPK8PTK2PKMYT1MAPK9MAPK10
SCHEMBL23754883 0.79 PTK2 (0.59) MAPK8PTK2PKMYT1MAPK9MAPK10
SCHEMBL12311812 0.78 MAPK8 (0.61) MAPK8PTK2PKMYT1MAPK9MAPK10

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 MAPK8 804/4885PTK2 2/4885PKMYT1 247/4885

“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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