SCHEMBL4136725

SCHEMBL4136725

COc1ccc(C(O)CNc2cc[nH]c(=O)c2-c2nc3c(C)cc(N4CCN(CCCF)CC4)cc3[nH]2)cc1Br

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 19/20 0.75
CYP3A4 P08684 18/20 0.75
AURKA O14965 1/20 0.61
PTK2 Q05397 1/20 0.61
AURKB Q96GD4 1/20 0.61
ALK Q9UM73 1/20 0.61

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
SCHEMBL5135512 1.00 IGF1R (0.75) IGF1RCYP3A4AURKAPTK2AURKB
SCHEMBL4130758 0.94 IGF1R (0.75) IGF1RCYP3A4AURKAPTK2AURKB
SCHEMBL4130749 0.94 IGF1R (0.75) IGF1RCYP3A4AURKAPTK2AURKB
SCHEMBL4001816 0.92 IGF1R (0.80) IGF1RCYP3A4PTK2
SCHEMBL5147200 0.92 IGF1R (0.80) IGF1RCYP3A4PTK2
SCHEMBL5136035 0.92 IGF1R (0.73) IGF1RCYP3A4AURKAPTK2AURKB
SCHEMBL5136042 0.92 IGF1R (0.73) IGF1RCYP3A4AURKAPTK2AURKB
SCHEMBL5136050 0.92 IGF1R (0.73) IGF1RCYP3A4AURKAPTK2AURKB
SCHEMBL4144886 0.91 IGF1R (0.76) IGF1RCYP3A4AURKAPTK2AURKB
SCHEMBL5136642 0.91 IGF1R (0.76) IGF1RCYP3A4AURKAPTK2AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381598-A4 NOVEL TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-03-19 EP claimed
US-20040044203-A1 Novel tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-03-04 US claimed
EP-1381598-A1 NOVEL TYROSINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-01-21 EP claimed
WO-2002079192-A1 NOVEL TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 WO claimed
EP-1670416-A4 METHODS FOR TREATING IGF1R-INHIBITOR INDUCED HYPERGLYCEMIA BRISTOL MYERS SQUIBB CO (US) 2009-06-10 EP disclosed
EP-1381598-A4 NOVEL TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-03-19 EP disclosed
US-7223757-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-29 US disclosed
EP-1758564-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER Brystol-Myers Squibb Company (US) 2007-03-07 EP disclosed
US-7081454-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2006-07-25 US disclosed
EP-1670416-A2 METHODS FOR TREATING IGF1R-INHIBITOR INDUCED HYPERGLYCEMIA Bristol-Myers Squibb Company (US) 2006-06-21 EP disclosed
US-20060079518-A1 Novel tyrosine kinase inhibitors WITTMAN MARK D 2006-04-13 US disclosed
WO-2005094376-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-13 WO 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
WO-2004031401-A2 NOVEL TYROSINE KINASES INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 WO disclosed
WO-2004030625-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 WO disclosed
WO-2004030627-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 WO disclosed
US-20040072760-A1 Synergistic methods and compositions for treating cancer BRISTOL-MYERS SQUIBB COMPANY 2004-04-15 US disclosed
EP-1381598-A1 NOVEL TYROSINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-01-21 EP disclosed
WO-2002079192-A1 NOVEL TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 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 (5 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 IGF1R 1/4885CYP3A4 4799/4885AURKA 1094/4885
US-20040044203-A1 Novel tyrosine kinase inhibitors ABL1, YES1, FER IGF1R 216/4885CYP3A4 2334/4885AURKA 345/4885
US-20040106605-A1 Synergistic methods and compositions for treating cancer EGFR, IGF1R, ERBB3 IGF1R 2/4885CYP3A4 4824/4885AURKA 848/4885
US-20040209930-A1 Synergistic methods and compositions for treating cancer IGF1R, CHEK2, MCL1 IGF1R 1/4885CYP3A4 4810/4885AURKA 336/4885
US-20060079518-A1 Novel tyrosine kinase inhibitors ABL1, FER, ERBB2 IGF1R 302/4885CYP3A4 2522/4885AURKA 342/4885

“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.