SCHEMBL6213481

SCHEMBL6213481

O=C1Cc2cc(Nc3ncc(Br)c(NCCc4cccc(C(F)(F)F)c4)n3)ccc2N1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 14/20 0.60
PTK2 Q05397 14/20 0.60
ULK1 O75385 3/20 0.56
KIF11 P52732 1/20 0.54
BCL6 P41182 3/20 0.50
AURKA O14965 2/20 0.50
BRD4 O60885 1/20 0.50
CDK1 P06493 2/20 0.49
CDK7 P50613 2/20 0.49
PLK4 O00444 1/20 0.49
PDPK1 O15530 1/20 0.49
DAPK3 O43293 1/20 0.49
JAK2 O60674 1/20 0.49
ROCK2 O75116 1/20 0.49
STK16 O75716 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
PAK4 O96013 1/20 0.49
CHEK2 O96017 1/20 0.49
NTRK1 P04629 1/20 0.49

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
SCHEMBL6213176 0.89 PTK2 (0.63) PTK2BPTK2ULK1BCL6AURKA
SCHEMBL6211530 0.88 PTK2 (0.70) PTK2BPTK2ULK1BCL6AURKA
SCHEMBL6211223 0.88 PTK2 (0.63) PTK2BPTK2ULK1BCL6AURKA
SCHEMBL6210572 0.88 PTK2 (0.63) PTK2BPTK2ULK1BCL6AURKA
SCHEMBL6210758 0.85 PTK2 (0.60) PTK2BPTK2ULK1BCL6NTRK1
SCHEMBL6211833 0.85 PTK2B (0.60) PTK2BPTK2ULK1KIF11BCL6
SCHEMBL6213446 0.85 PTK2B (0.63) PTK2BPTK2ULK1BCL6AURKA
SCHEMBL6213676 0.84 PTK2 (0.67) PTK2BPTK2ULK1BCL6AURKA
SCHEMBL6215671 0.83 PTK2 (0.63) PTK2BPTK2ULK1BCL6AURKA
SCHEMBL6210203 0.83 PTK2 (0.63) PTK2BPTK2ULK1BCL6PAK4

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 6 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
EP-1578732-A2 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Inc. (US) 2005-09-28 EP 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

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 PTK2B 1941/4885PTK2 3004/4885ULK1 4689/4885

“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.