SCHEMBL5881433

SCHEMBL5881433

CS(=O)(=O)Cc1cccc(CNc2nc(Nc3ccc4c(c3)NC(=O)C4)ncc2C(F)(F)F)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 18/20 0.74
PTK2B Q14289 15/20 0.74
ULK1 O75385 2/20 0.74
CDK1 P06493 2/20 0.66
CDK7 P50613 2/20 0.66
CCNB1 P14635 1/20 0.66
AURKA O14965 2/20 0.60
BRD4 O60885 1/20 0.60
PLK4 O00444 1/20 0.59
PDPK1 O15530 1/20 0.59
DAPK3 O43293 1/20 0.59
JAK2 O60674 1/20 0.59
ROCK2 O75116 1/20 0.59
STK16 O75716 1/20 0.59
PRKD3 O94806 1/20 0.59
MAP4K4 O95819 1/20 0.59
PAK4 O96013 1/20 0.59
CHEK2 O96017 1/20 0.59
NTRK1 P04629 1/20 0.59
PRKCG P05129 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
SCHEMBL3159237 0.94 PTK2 (0.84) PTK2PTK2BULK1CDK1CDK7
SCHEMBL6212081 0.91 PTK2 (0.88) PTK2PTK2BULK1CDK1CDK7
SCHEMBL5186680 0.91 PTK2 (0.73) PTK2PTK2BULK1CDK1CDK7
SCHEMBL5881427 0.89 PTK2B (0.73) PTK2PTK2BULK1CDK1CDK7
SCHEMBL5184785 0.88 PTK2 (0.75) PTK2PTK2BULK1CDK1CDK7
SCHEMBL5186694 0.87 PTK2 (0.67) PTK2PTK2BULK1CDK1CDK7
SCHEMBL6214302 0.86 PTK2 (0.79) PTK2PTK2BULK1CDK1CDK7
SCHEMBL3154987 0.86 PTK2B (0.82) PTK2PTK2BULK1CDK1CDK7
SCHEMBL5184748 0.85 PTK2 (0.66) PTK2PTK2BULK1CDK1CDK7
SCHEMBL5184760 0.85 PTK2 (0.73) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7145008-B2 Selective inhibitors of certain receptor and non-receptor tyrosine kinases such as FAK (focal adhesion kinase); anticancer agents; N-Methyl-N-(3-{[2-(2-oxo-2,3-dihydro-1H-indol-4-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-pyrazin-2-yl)-methanesulfonamide for example PFIZER INC (US) 2006-12-05 US claimed
US-20050256125-A1 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC. 2005-11-17 US claimed
US-7145008-B2 Selective inhibitors of certain receptor and non-receptor tyrosine kinases such as FAK (focal adhesion kinase); anticancer agents; N-Methyl-N-(3-{[2-(2-oxo-2,3-dihydro-1H-indol-4-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-pyrazin-2-yl)-methanesulfonamide for example PFIZER INC (US) 2006-12-05 US disclosed
US-20050256125-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-20050256125-A1 Pyrimidine derivatives for the treatment of abnormal cell growth DPYD, TYMP, TYMS PTK2 4505/4885PTK2B 4237/4885ULK1 4137/4885

“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.