SCHEMBL5517248

SCHEMBL5517248

COc1ccc(C(O)CNc2cc[nH]c(=O)c2-c2nc3c(C)cc(N4CCOC(C)(O)C4)cc3[nH]2)cc1Br

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 3/20 0.64
AURKA O14965 2/20 0.64
AURKB Q96GD4 2/20 0.64
ALK Q9UM73 2/20 0.64
IGF1R P08069 19/20 0.62
CYP3A4 P08684 15/20 0.62
EGFR P00533 2/20 0.62
INSR P06213 2/20 0.62
LCK P06239 2/20 0.62
KDR P35968 2/20 0.62
ERBB2 P04626 1/20 0.62
CYP1A2 P05177 1/20 0.62
MET P08581 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
MAP2K1 Q02750 1/20 0.62
PLK4 O00444 1/20 0.62
CHEK1 O14757 1/20 0.62
PDPK1 O15530 1/20 0.62
DAPK3 O43293 1/20 0.62

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
SCHEMBL5135538 1.00 PTK2 (0.64) PTK2AURKAAURKBALKIGF1R
SCHEMBL5511064 0.93 IGF1R (0.69) PTK2AURKAAURKBALKIGF1R
SCHEMBL5136010 0.93 IGF1R (0.69) PTK2AURKAAURKBALKIGF1R
SCHEMBL5136949 0.92 PTK2 (0.76) PTK2AURKAAURKBALKIGF1R
SCHEMBL5135881 0.92 PTK2 (0.76) PTK2AURKAAURKBALKIGF1R
SCHEMBL5136035 0.88 IGF1R (0.73) PTK2AURKAAURKBALKIGF1R
SCHEMBL5136050 0.88 IGF1R (0.73) PTK2AURKAAURKBALKIGF1R
SCHEMBL5074831 0.88 IGF1R (0.73) PTK2AURKAAURKBALKIGF1R
SCHEMBL6095914 0.88 IGF1R (0.73) PTK2AURKAAURKBALKIGF1R
SCHEMBL5136042 0.88 IGF1R (0.73) PTK2AURKAAURKBALKIGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7081454-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2006-07-25 US claimed
US-20040044203-A1 Novel tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-03-04 US claimed
US-7223757-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-29 US disclosed
US-7081454-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2006-07-25 US disclosed
US-20060079518-A1 Novel tyrosine kinase inhibitors WITTMAN MARK D 2006-04-13 US disclosed
US-20050075358-A1 Methods for treating IGF1R-inhibitor induced hyperglycemia BRISTOL-MYERS SQUIBB COMANY 2005-04-07 US disclosed
US-20040209930-A1 Synergistic methods and compositions for treating cancer BRISTOL-MYERS SQUIBB COMPANY 2004-10-21 US disclosed
US-20040106605-A1 Synergistic methods and compositions for treating cancer BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 US disclosed
US-20040072760-A1 Synergistic methods and compositions for treating cancer BRISTOL-MYERS SQUIBB COMPANY 2004-04-15 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-20040072760-A1 Synergistic methods and compositions for treating cancer IGF1R, MCL1, IGFBP2 PTK2 164/4885AURKA 1094/4885AURKB 300/4885
US-20040044203-A1 Novel tyrosine kinase inhibitors ABL1, YES1, FER PTK2 54/4885AURKA 345/4885AURKB 260/4885
US-20040106605-A1 Synergistic methods and compositions for treating cancer EGFR, IGF1R, ERBB3 PTK2 57/4885AURKA 848/4885AURKB 357/4885
US-20040209930-A1 Synergistic methods and compositions for treating cancer IGF1R, CHEK2, MCL1 PTK2 51/4885AURKA 336/4885AURKB 108/4885
US-20060079518-A1 Novel tyrosine kinase inhibitors ABL1, FER, ERBB2 PTK2 67/4885AURKA 342/4885AURKB 266/4885
US-20050075358-A1 Methods for treating IGF1R-inhibitor induced hyperglycemia IGF1R, IGFBP1, IRS1 PTK2 460/4885AURKA 2296/4885AURKB 1441/4885

“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.