SCHEMBL6111817

SCHEMBL6111817

CCS(=O)(=O)Nc1cnccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 19/20 0.69
PTK2 Q05397 18/20 0.69
AURKA O14965 2/20 0.66
CDK1 P06493 2/20 0.66
CDK7 P50613 2/20 0.66
PLK4 O00444 1/20 0.66
PDPK1 O15530 1/20 0.66
DAPK3 O43293 1/20 0.66
JAK2 O60674 1/20 0.66
ROCK2 O75116 1/20 0.66
STK16 O75716 1/20 0.66
PRKD3 O94806 1/20 0.66
MAP4K4 O95819 1/20 0.66
PAK4 O96013 1/20 0.66
CHEK2 O96017 1/20 0.66
NTRK1 P04629 1/20 0.66
PRKCG P05129 1/20 0.66
INSR P06213 1/20 0.66
LCK P06239 1/20 0.66
FYN P06241 1/20 0.66

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
SCHEMBL3256229 0.92 PTK2B (0.77) PTK2BPTK2AURKACDK1CDK7
SCHEMBL6112223 0.90 PTK2B (0.68) PTK2BPTK2AURKACDK1CDK7
SCHEMBL13270284 0.89 PTK2 (0.76) PTK2BPTK2AURKACDK1CDK7
SCHEMBL6112202 0.89 PTK2B (0.64) PTK2BPTK2AURKACDK1CDK7
SCHEMBL5498977 0.87 PTK2B (0.70) PTK2BPTK2AURKACDK1CDK7
SCHEMBL5496158 0.86 PTK2B (0.69) PTK2BPTK2AURKACDK1CDK7
SCHEMBL5500783 0.86 PTK2B (0.64) PTK2BPTK2AURKACDK1CDK7
SCHEMBL5506214 0.86 PTK2B (0.72) PTK2BPTK2AURKACDK1CDK7
SCHEMBL6112240 0.85 PTK2B (0.71) PTK2BPTK2AURKACDK1CDK7
SCHEMBL6111804 0.85 PTK2B (0.65) PTK2BPTK2AURKACDK1CDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060205945-A1 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC 2006-09-14 US claimed

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-20060205945-A1 Pyrimidine derivatives for the treatment of abnormal cell growth TYMS, TYMP, DPYD PTK2B 2693/4885PTK2 3522/4885AURKA 651/4885

“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.