SCHEMBL5507976

SCHEMBL5507976

Cc1cc(N2CCOCC2)cc2[nH]c(C3=C(O)CNC3=O)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 18/20 0.47
AURKA O14965 3/20 0.46
AURKB Q96GD4 3/20 0.46
ALK Q9UM73 3/20 0.46
PTK2 Q05397 3/20 0.46
EGFR P00533 2/20 0.45
INSR P06213 2/20 0.45
LCK P06239 2/20 0.45
KDR P35968 2/20 0.45
CYP3A4 P08684 2/20 0.45
ERBB2 P04626 1/20 0.45
CYP1A2 P05177 1/20 0.45
MET P08581 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAP2K1 Q02750 1/20 0.45
PLK4 O00444 1/20 0.45
CHEK1 O14757 1/20 0.45
PDPK1 O15530 1/20 0.45
DAPK3 O43293 1/20 0.45

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
SCHEMBL5511081 0.75 IGF1R (0.70) IGF1RAURKAAURKBALKPTK2
SCHEMBL5511084 0.75 IGF1R (0.70) IGF1RAURKAAURKBALKPTK2
SCHEMBL31357485 0.74 IGF1R (0.64) IGF1RAURKAAURKBALKPTK2
SCHEMBL5511051 0.74 ATR (0.39)
SCHEMBL5136712 0.73 IGF1R (0.67) IGF1RAURKAAURKBALKPTK2
SCHEMBL14510496 0.72 IGF1R (0.52) IGF1RAURKAAURKBALKPTK2
SCHEMBL5509849 0.72 IGF1R (0.55) IGF1RAURKAAURKBALKPTK2
SCHEMBL4127195 0.72 IGF1R (0.52) IGF1RAURKAAURKBALKPTK2
SCHEMBL14510495 0.72 IGF1R (0.55) IGF1RAURKAAURKBALKPTK2
SCHEMBL5135737 0.71 AURKA (0.64) IGF1RAURKAAURKBALKPTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223757-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-29 US disclosed
US-7223757-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-29 US disclosed
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
EP-1545543-A2 NOVEL TYROSINE KINASES INHIBITORS Bristol-Myers Squibb Company (US) 2005-06-29 EP disclosed
WO-2004031401-A2 NOVEL TYROSINE KINASES INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 WO disclosed
US-20040044203-A1 Novel tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-03-04 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 (2 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-20040044203-A1 Novel tyrosine kinase inhibitors ABL1, YES1, FER IGF1R 216/4885AURKA 345/4885AURKB 260/4885
US-20060079518-A1 Novel tyrosine kinase inhibitors ABL1, FER, ERBB2 IGF1R 302/4885AURKA 342/4885AURKB 266/4885

“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.