SCHEMBL6211017

SCHEMBL6211017

COc1ccccc1CNc1nc(Nc2ccc3c(c2)NC(=O)C3)ncc1Br

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 13/20 0.61
PTK2B Q14289 9/20 0.61
PLK1 P53350 5/20 0.51
NTRK1 P04629 2/20 0.50
IGF1R P08069 2/20 0.50
AURKA O14965 2/20 0.50
BRD4 O60885 1/20 0.50
INSR P06213 2/20 0.49
KDR P35968 2/20 0.49
AURKB Q96GD4 2/20 0.49
PLK4 O00444 1/20 0.47
PDPK1 O15530 1/20 0.47
DAPK3 O43293 1/20 0.47
JAK2 O60674 1/20 0.47
ROCK2 O75116 1/20 0.47
STK16 O75716 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
PAK4 O96013 1/20 0.47
CHEK2 O96017 1/20 0.47

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
SCHEMBL6209234 0.89 PTK2 (0.58) PTK2PTK2BNTRK1IGF1RAURKA
SCHEMBL6212877 0.87 PTK2 (0.63) PTK2PTK2BNTRK1IGF1RAURKA
SCHEMBL6214131 0.85 PTK2 (0.59) PTK2PTK2BNTRK1IGF1RAURKA
SCHEMBL6211769 0.85 PTK2 (0.63) PTK2PTK2BPLK1NTRK1IGF1R
SCHEMBL6211649 0.85 PTK2 (0.61) PTK2PTK2BNTRK1IGF1RAURKA
SCHEMBL6213383 0.84 PTK2 (0.57) PTK2PTK2BPLK1NTRK1IGF1R
SCHEMBL6214373 0.84 PTK2 (0.59) PTK2PTK2BNTRK1IGF1RAURKA
SCHEMBL6214428 0.83 PTK2 (0.58) PTK2PTK2BPLK1NTRK1IGF1R
SCHEMBL6209145 0.83 PTK2 (0.58) PTK2PTK2BPLK1NTRK1IGF1R
SCHEMBL6210578 0.82 PTK2 (0.86) PTK2PTK2BNTRK1IGF1RAURKA

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 4 patents. 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-20040220177-A1 Compound for the treatment of abnormal cell growth PFIZER INC 2004-11-04 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-20040220177-A1 Compound for the treatment of abnormal cell growth CCNA1, CCNB1, CCNT1 PTK2 3004/4885PTK2B 1941/4885PLK1 703/4885

“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.