SCHEMBL3163641

SCHEMBL3163641

O=C1Cc2cc(Nc3ncc(C(F)(F)F)c(NCc4ccccn4)n3)ccc2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 18/20 1.00
PTK2B Q14289 18/20 1.00
AURKA O14965 2/20 0.67
ULK1 O75385 1/20 0.67
PLK4 O00444 1/20 0.67
PDPK1 O15530 1/20 0.67
DAPK3 O43293 1/20 0.67
JAK2 O60674 1/20 0.67
ROCK2 O75116 1/20 0.67
STK16 O75716 1/20 0.67
PRKD3 O94806 1/20 0.67
MAP4K4 O95819 1/20 0.67
PAK4 O96013 1/20 0.67
CHEK2 O96017 1/20 0.67
NTRK1 P04629 1/20 0.67
PRKCG P05129 1/20 0.67
INSR P06213 1/20 0.67
LCK P06239 1/20 0.67
FYN P06241 1/20 0.67
CDK1 P06493 1/20 0.67

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
SCHEMBL6214304 0.93 PTK2 (0.87) PTK2PTK2BAURKAULK1PLK4
SCHEMBL5210701 0.92 PTK2 (1.00) PTK2PTK2BULK1CDK1CDK7
SCHEMBL3151124 0.90 PTK2B (0.82) PTK2PTK2BAURKAULK1PLK4
SCHEMBL3144657 0.90 PTK2B (0.82) PTK2PTK2BAURKAULK1PLK4
SCHEMBL6209171 0.89 PTK2 (0.80) PTK2PTK2BAURKAULK1PLK4
SCHEMBL5497759 0.89 PTK2B (1.00) PTK2PTK2BAURKAULK1PLK4
SCHEMBL3148510 0.88 PTK2B (0.82) PTK2PTK2BAURKAULK1PLK4
SCHEMBL5212866 0.87 PTK2 (0.87) PTK2PTK2BULK1CDK1CDK7
SCHEMBL6209931 0.87 PTK2 (0.77) PTK2PTK2BAURKAULK1PLK4
SCHEMBL6213649 0.87 PTK2 (1.00) PTK2PTK2BAURKAULK1PLK4

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578732-A2 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Inc. (US) 2005-09-28 EP claimed
US-20040220177-A1 Compound for the treatment of abnormal cell growth PFIZER INC 2004-11-04 US claimed
WO-2004056786-A2 PYRIMIDINE DERIVATES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2004-07-08 WO claimed
US-7741336-B2 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC. (US) 2010-06-22 US disclosed
US-7674796-B2 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC. (US) 2010-03-09 US disclosed
EP-1625121-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PROD INC (US) 2010-02-24 EP disclosed
US-20080300234-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER INC. 2008-12-04 US disclosed
US-20080182840-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER INC 2008-07-31 US disclosed
US-7351712-B2 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2008-04-01 US disclosed
EP-1751143-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Incorporated (US) 2007-02-14 EP disclosed
US-20060281774-A1 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC 2006-12-14 US disclosed
US-20060205945-A1 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC 2006-09-14 US disclosed
EP-1625121-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Inc. (US) 2006-02-15 EP 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
EP-1578732-A2 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Inc. (US) 2005-09-28 EP disclosed
US-20050009853-A1 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC 2005-01-13 US disclosed
US-20040220177-A1 Compound for the treatment of abnormal cell growth PFIZER INC 2004-11-04 US disclosed
WO-2004056786-A2 PYRIMIDINE DERIVATES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2004-07-08 WO disclosed
WO-2004056807-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2004-07-08 WO 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 (7 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-20080182840-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-20080300234-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH TYMS, TYMP, DPYD PTK2 3522/4885PTK2B 2693/4885AURKA 651/4885
US-20050009853-A1 Pyrimidine derivatives for the treatment of abnormal cell growth TYMS, TYMP, DPYD PTK2 3522/4885PTK2B 2693/4885AURKA 651/4885
US-20060281774-A1 Pyrimidine derivatives for the treatment of abnormal cell growth TYMS, TYMP, DPYD PTK2 3522/4885PTK2B 2693/4885AURKA 651/4885
US-20040220177-A1 Compound for the treatment of abnormal cell growth CCNA1, CCNB1, CCNT1 PTK2 3004/4885PTK2B 1941/4885AURKA 731/4885

“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.