SCHEMBL5498441

SCHEMBL5498441

NCCNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 15/20 0.78
PTK2 Q05397 13/20 0.74
ULK1 O75385 3/20 0.65
AURKA O14965 2/20 0.62
BRD4 O60885 1/20 0.62
GABRA1 P14867 1/20 0.61
TMEM97 Q5BJF2 1/20 0.61
FLT3 P36888 4/20 0.61
CHEK1 O14757 3/20 0.61
PLK4 O00444 1/20 0.60
PDPK1 O15530 1/20 0.60
DAPK3 O43293 1/20 0.60
JAK2 O60674 1/20 0.60
ROCK2 O75116 1/20 0.60
STK16 O75716 1/20 0.60
PRKD3 O94806 1/20 0.60
MAP4K4 O95819 1/20 0.60
PAK4 O96013 1/20 0.60
CHEK2 O96017 1/20 0.60
NTRK1 P04629 1/20 0.60

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
SCHEMBL5493564 0.94 PTK2B (0.75) PTK2BPTK2ULK1AURKABRD4
SCHEMBL3154998 0.91 PTK2B (0.78) PTK2BPTK2ULK1AURKABRD4
SCHEMBL3154737 0.91 PTK2B (0.78) PTK2BPTK2ULK1AURKABRD4
SCHEMBL5502355 0.90 PTK2B (0.74) PTK2BPTK2ULK1AURKABRD4
SCHEMBL5493556 0.90 PTK2B (0.74) PTK2BPTK2ULK1AURKABRD4
SCHEMBL3161179 0.90 PTK2B (0.77) PTK2BPTK2ULK1AURKABRD4
SCHEMBL3146707 0.89 PTK2B (0.75) PTK2BPTK2ULK1AURKABRD4
SCHEMBL3147828 0.88 PTK2B (0.74) PTK2BPTK2ULK1AURKABRD4
SCHEMBL3155540 0.88 PTK2B (0.74) PTK2BPTK2ULK1AURKABRD4
SCHEMBL5495107 0.87 PTK2B (0.84) PTK2BPTK2ULK1AURKABRD4

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 10 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
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 (2 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 3522/4885ULK1 3324/4885
US-20050256145-A1 Pyrimidine derivatives for the treatment of abnormal cell growth TYMS, TYMP, DPYD PTK2B 2693/4885PTK2 3522/4885ULK1 3324/4885

“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.