SCHEMBL5184792

SCHEMBL5184792

Cc1cc(CNc2nc(Nc3ccc4c(c3)NC(=O)C4)ncc2C(F)(F)F)nc(N(C)S(C)(=O)=O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 18/20 0.67
PTK2 Q05397 18/20 0.67
GABRA1 P14867 1/20 0.67
TMEM97 Q5BJF2 1/20 0.67
AURKA O14965 2/20 0.64
BRD4 O60885 1/20 0.64
CDK1 P06493 2/20 0.62
CDK7 P50613 2/20 0.62
PLK4 O00444 1/20 0.62
PDPK1 O15530 1/20 0.62
DAPK3 O43293 1/20 0.62
JAK2 O60674 1/20 0.62
ROCK2 O75116 1/20 0.62
STK16 O75716 1/20 0.62
PRKD3 O94806 1/20 0.62
MAP4K4 O95819 1/20 0.62
PAK4 O96013 1/20 0.62
CHEK2 O96017 1/20 0.62
NTRK1 P04629 1/20 0.62
PRKCG P05129 1/20 0.62

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
SCHEMBL5499280 0.94 PTK2B (0.76) PTK2BPTK2GABRA1TMEM97AURKA
SCHEMBL5187429 0.87 PTK2 (0.69) PTK2BPTK2GABRA1TMEM97AURKA
SCHEMBL5497911 0.87 PTK2B (0.76) PTK2BPTK2GABRA1TMEM97AURKA
SCHEMBL5199158 0.87 PTK2 (0.66) PTK2BPTK2GABRA1TMEM97AURKA
SCHEMBL5184761 0.85 PTK2 (0.68) PTK2BPTK2GABRA1TMEM97AURKA
SCHEMBL5185184 0.85 PTK2 (0.72) PTK2BPTK2GABRA1TMEM97AURKA
SCHEMBL5184693 0.85 PTK2 (0.55) PTK2BPTK2GABRA1TMEM97AURKA
SCHEMBL5495817 0.85 PTK2B (0.77) PTK2BPTK2GABRA1TMEM97AURKA
SCHEMBL5500089 0.85 PTK2B (0.79) PTK2BPTK2GABRA1TMEM97AURKA
SCHEMBL5185849 0.85 PTK2 (0.67) PTK2BPTK2GABRA1TMEM97AURKA

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
EP-1751142-A1 PYRIMIDINES DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Incorporated (US) 2007-02-14 EP 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 claimed
WO-2005111022-A1 PYRIMIDINES DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2005-11-24 WO claimed
US-20050256125-A1 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC. 2005-11-17 US claimed
EP-1751142-A1 PYRIMIDINES DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Incorporated (US) 2007-02-14 EP disclosed
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
WO-2005111022-A1 PYRIMIDINES DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2005-11-24 WO 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 PTK2B 4237/4885PTK2 4505/4885GABRA1 4556/4885

“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.