SCHEMBL1154958

SCHEMBL1154958

CN1CCN(C2CC(C3=C4C=NC=C[N+]4(O)C(c4ccc5ccc(-c6ccccc6)nc5c4)=N3)C2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 18/20 0.48
CYP3A4 P08684 7/20 0.48
INSR P06213 5/20 0.48
MAPK3 P27361 2/20 0.48
MAPK1 P28482 2/20 0.48
MAPK6 Q16659 1/20 0.48
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
RAB9A P51151 1/20 0.36
KLF5 Q13887 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RIPK2 O43353 1/20 0.33
ROCK2 O75116 1/20 0.33
LATS1 O95835 1/20 0.33
LCK P06239 1/20 0.33
LYN P07948 1/20 0.33
RET P07949 1/20 0.33
ABCB1 P08183 1/20 0.33

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
SCHEMBL1155083 0.90 IGF1R (0.48) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL400256 0.89 IGF1R (0.49) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL399442 0.83 IGF1R (0.45) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL1154831 0.83 IGF1R (0.34) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL437280 0.82 IGF1R (0.39) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL401941 0.82 IGF1R (0.47) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL398423 0.81 IGF1R (0.40) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL397712 0.81 IGF1R (0.47) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL402576 0.81 IGF1R (0.47) IGF1RCYP3A4INSRMAPK3MAPK1
SCHEMBL400414 0.81 IGF1R (0.40) IGF1RCYP3A4INSRMAPK3MAPK1

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
US-20110046144-A1 IMIDAZOPYRAZINOL DERIVATIVES FOR THE TREATMENT OF CANCERS OSI PHARMACEUTICALS, INC. 2011-02-24 US claimed
US-20110046144-A1 IMIDAZOPYRAZINOL DERIVATIVES FOR THE TREATMENT OF CANCERS OSI PHARMACEUTICALS, INC. 2011-02-24 US disclosed
EP-2250173-A1 IMIDAZOPYRAZINOL DERIVATIVES FOR THE TREATMENT OF CANCERS OSI Pharmaceuticals, Inc. (US) 2010-11-17 EP disclosed
WO-2009091939-A1 IMIDAZOPYRAZINOL DERIVATIVES FOR THE TREATMENT OF CANCERS OSI PHARMACEUTICALS, INC. (US) 2009-07-23 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-20110046144-A1 IMIDAZOPYRAZINOL DERIVATIVES FOR THE TREATMENT OF CANCERS IGF1R, IGFBP3, INSR IGF1R 1/4885CYP3A4 265/4885INSR 3/4885

“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.