SCHEMBL5501119

SCHEMBL5501119

CN(c1nccnc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 19/20 0.81
PTK2B Q14289 10/20 0.81
AURKA O14965 2/20 0.81
PLK4 O00444 1/20 0.81
PDPK1 O15530 1/20 0.81
DAPK3 O43293 1/20 0.81
JAK2 O60674 1/20 0.81
ROCK2 O75116 1/20 0.81
STK16 O75716 1/20 0.81
PRKD3 O94806 1/20 0.81
MAP4K4 O95819 1/20 0.81
PAK4 O96013 1/20 0.81
CHEK2 O96017 1/20 0.81
NTRK1 P04629 1/20 0.81
PRKCG P05129 1/20 0.81
INSR P06213 1/20 0.81
LCK P06239 1/20 0.81
FYN P06241 1/20 0.81
CDK1 P06493 1/20 0.81
LYN P07948 1/20 0.81

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
SCHEMBL5185891 0.94 PTK2 (0.72) PTK2PTK2BAURKAPLK4PDPK1
SCHEMBL5500420 0.92 PTK2 (0.76) PTK2PTK2BAURKAPLK4PDPK1
SCHEMBL5500570 0.92 PTK2 (0.76) PTK2PTK2BAURKAPLK4PDPK1
SCHEMBL5495668 0.90 PTK2 (0.76) PTK2PTK2BAURKAPLK4PDPK1
SCHEMBL5500856 0.90 PTK2 (0.75) PTK2PTK2BAURKAPLK4PDPK1
SCHEMBL5494328 0.90 PTK2 (0.81) PTK2PTK2BAURKAPLK4PDPK1
Pf-00562271 SCHEMBL29637167 0.90 PTK2 (1.00) PTK2PTK2BAURKAPLK4PDPK1
Pf-00562271 SCHEMBL29381854 0.90 PTK2 (1.00) PTK2PTK2BAURKAPLK4PDPK1
Pf-00562271 SCHEMBL1206959 0.90 PTK2 (1.00) PTK2PTK2BAURKAPLK4PDPK1
SCHEMBL5494449 0.89 PTK2B (0.75) PTK2PTK2BAURKAPLK4PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751143-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Incorporated (US) 2007-02-14 EP claimed
US-7109337-B2 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2006-09-19 US claimed
US-20060205945-A1 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC 2006-09-14 US claimed
WO-2005111023-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2005-11-24 WO claimed
US-20050256145-A1 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC 2005-11-17 US claimed
US-20180177788-A1 THERAPEUTIC COMPOSITIONS, COMBINATIONS, AND METHODS OF USE RGCM SA LLC, AS PURCHASER AGENT 2018-06-28 US disclosed
EP-1751143-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Incorporated (US) 2007-02-14 EP disclosed
US-7109337-B2 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2006-09-19 US disclosed
US-20060205945-A1 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC 2006-09-14 US disclosed
WO-2005111023-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed
US-20050256145-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 (3 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 PTK2 3522/4885PTK2B 2693/4885AURKA 651/4885
US-20050256145-A1 Pyrimidine derivatives for the treatment of abnormal cell growth TYMS, TYMP, DPYD PTK2 3522/4885PTK2B 2693/4885AURKA 651/4885
US-20180177788-A1 THERAPEUTIC COMPOSITIONS, COMBINATIONS, AND METHODS OF USE PTK2, CD274, PDCD1LG2 PTK2 1/4885PTK2B 39/4885AURKA 1488/4885

“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.