SCHEMBL3155140

SCHEMBL3155140

O=C1Cc2cc(Nc3ncc(C(F)(F)F)c(NC(O)C4CCCC4)n3)ccc2N1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 14/20 0.72
PTK2 Q05397 11/20 0.66
ULK1 O75385 6/20 0.62
SYK P43405 1/20 0.56
AURKA O14965 1/20 0.52
BRD4 O60885 1/20 0.52
GABRA1 P14867 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52

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
SCHEMBL5503429 0.98 PTK2B (0.72) PTK2BPTK2ULK1SYKAURKA
SCHEMBL3156242 0.89 PTK2B (0.70) PTK2BPTK2ULK1SYKAURKA
SCHEMBL3154293 0.88 PTK2B (0.77) PTK2BPTK2ULK1AURKABRD4
SCHEMBL3164199 0.87 PTK2B (0.80) PTK2BPTK2ULK1SYK
SCHEMBL3150037 0.86 PTK2B (0.81) PTK2BPTK2ULK1AURKABRD4
SCHEMBL6211949 0.86 SYK (0.57) PTK2BPTK2ULK1SYK
SCHEMBL3156106 0.86 PTK2B (0.79) PTK2BPTK2ULK1SYK
SCHEMBL3155499 0.86 PTK2B (0.79) PTK2BPTK2ULK1SYK
SCHEMBL3160125 0.85 PTK2B (0.83) PTK2BPTK2ULK1SYK
SCHEMBL3154958 0.85 PTK2B (0.81) PTK2BPTK2ULK1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1625121-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PROD INC (US) 2010-02-24 EP claimed
US-20080182840-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER INC 2008-07-31 US claimed
US-20060281774-A1 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC 2006-12-14 US claimed
US-7109335-B2 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2006-09-19 US 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
US-20050256145-A1 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC 2005-11-17 US claimed
US-20050009853-A1 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC 2005-01-13 US 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
US-20060281774-A1 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC 2006-12-14 US disclosed
US-7109335-B2 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2006-09-19 US 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
US-20050256145-A1 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC 2005-11-17 US disclosed
US-20050009853-A1 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC 2005-01-13 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 (6 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-20080182840-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
US-20080300234-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH TYMS, TYMP, DPYD PTK2B 2693/4885PTK2 3522/4885ULK1 3324/4885
US-20050009853-A1 Pyrimidine derivatives for the treatment of abnormal cell growth TYMS, TYMP, DPYD PTK2B 2693/4885PTK2 3522/4885ULK1 3324/4885
US-20060281774-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.