SCHEMBL5212866

SCHEMBL5212866

O=C1CCc2ccc(Nc3ncc(C(F)(F)F)c(NCc4ccccn4)n3)cc2N1

nearest known ligand 0.87

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 13/20 0.87
PTK2B Q14289 11/20 0.87
ULK1 O75385 8/20 0.59
CDK1 P06493 1/20 0.59
CCNB1 P14635 1/20 0.59
CDK7 P50613 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
SCHEMBL5210701 0.93 PTK2 (1.00) PTK2PTK2BULK1CDK1CCNB1
SCHEMBL6214304 0.92 PTK2 (0.87) PTK2PTK2BULK1CDK1CDK7
SCHEMBL5210821 0.88 PTK2B (0.68) PTK2PTK2BULK1CDK1CCNB1
SCHEMBL3163641 0.87 PTK2 (1.00) PTK2PTK2BULK1CDK1CDK7
SCHEMBL6209931 0.86 PTK2 (0.77) PTK2PTK2BULK1CDK1CDK7
SCHEMBL17545096 0.82 PTK2B (0.85) PTK2PTK2BULK1CDK1CCNB1
SCHEMBL5208617 0.82 PTK2 (0.68) PTK2PTK2BULK1CDK1CCNB1
SCHEMBL5213052 0.81 PTK2B (0.79) PTK2PTK2BULK1CDK1CCNB1
SCHEMBL5210663 0.81 PTK2 (0.89) PTK2PTK2BCDK1CDK7
SCHEMBL5209315 0.81 PTK2 (0.88) PTK2PTK2BULK1CDK1CCNB1

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
US-7235562-B2 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2007-06-26 US claimed
EP-1758887-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Incorporated (US) 2007-03-07 EP claimed
WO-2005111016-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2005-11-24 WO claimed
US-20050256111-A1 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC 2005-11-17 US claimed
US-7235562-B2 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2007-06-26 US disclosed
EP-1758887-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Incorporated (US) 2007-03-07 EP disclosed
WO-2005111016-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed
US-20050256111-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-20050256111-A1 Pyrimidine derivatives for the treatment of abnormal cell growth TYMS, TYMP, CCNA1 PTK2 3610/4885PTK2B 3168/4885ULK1 3275/4885

“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.