SCHEMBL5215829

SCHEMBL5215829

CS(=O)(=O)Oc1cccc(CNc2nc(Nc3ccc4c(c3)NC(=O)CC4)ncc2C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 15/20 0.70
PTK2B Q14289 12/20 0.70
ULK1 O75385 6/20 0.70
CDK1 P06493 2/20 0.70
CDK7 P50613 2/20 0.70
CCNB1 P14635 1/20 0.70
AURKA O14965 2/20 0.52
BRD4 O60885 1/20 0.52
PLK4 O00444 1/20 0.51
PDPK1 O15530 1/20 0.51
DAPK3 O43293 1/20 0.51
JAK2 O60674 1/20 0.51
ROCK2 O75116 1/20 0.51
STK16 O75716 1/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
PAK4 O96013 1/20 0.51
CHEK2 O96017 1/20 0.51
NTRK1 P04629 1/20 0.51
PRKCG P05129 1/20 0.51

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
SCHEMBL5213816 0.94 PTK2B (0.80) PTK2PTK2BULK1CDK1CDK7
SCHEMBL3146566 0.89 PTK2B (0.80) PTK2PTK2BULK1CDK1CDK7
SCHEMBL5208623 0.89 PTK2 (0.73) PTK2PTK2BULK1CDK1CDK7
SCHEMBL5209315 0.89 PTK2 (0.88) PTK2PTK2BULK1CDK1CDK7
SCHEMBL5210397 0.86 PTK2 (0.80) PTK2PTK2BULK1CDK1CDK7
SCHEMBL5212849 0.84 PTK2B (0.82) PTK2PTK2BULK1CDK1CDK7
SCHEMBL5212404 0.83 PTK2 (1.00) PTK2PTK2BULK1CDK1CDK7
SCHEMBL31732817 0.83 PTK2 (1.00) PTK2PTK2BULK1CDK1CDK7
SCHEMBL31060602 0.83 PTK2 (1.00) PTK2PTK2BULK1CDK1CDK7
SCHEMBL29382158 0.83 PTK2 (1.00) PTK2PTK2BULK1CDK1CDK7

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235562-B2 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2007-06-26 US claimed
EP-1758887-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Incorporated (US) 2007-03-07 EP claimed
WO-2005111016-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2005-11-24 WO claimed
US-20050256111-A1 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC 2005-11-17 US claimed
US-7235562-B2 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2007-06-26 US disclosed
EP-1758887-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Incorporated (US) 2007-03-07 EP disclosed
WO-2005111016-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed
US-20050256111-A1 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC 2005-11-17 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-20050256111-A1 Pyrimidine derivatives for the treatment of abnormal cell growth TYMS, TYMP, CCNA1 PTK2 3610/4885PTK2B 3168/4885ULK1 3275/4885

“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.