SCHEMBL3313628

SCHEMBL3313628

COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Br)c(-c2cnc3ccccn23)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 20/20 1.00
CDK2 P24941 7/20 1.00
INSR P06213 1/20 0.83
KCNH2 Q12809 9/20 0.79

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
SCHEMBL3316724 0.93 IGF1R (1.00) IGF1RCDK2INSRKCNH2
SCHEMBL3316222 0.92 IGF1R (1.00) IGF1RCDK2INSRKCNH2
SCHEMBL3312532 0.91 IGF1R (1.00) IGF1RCDK2INSRKCNH2
SCHEMBL3313917 0.91 IGF1R (1.00) IGF1RCDK2INSRKCNH2
SCHEMBL3313416 0.90 IGF1R (0.81) IGF1RCDK2INSRKCNH2
SCHEMBL3311619 0.89 IGF1R (1.00) IGF1RCDK2INSRKCNH2
SCHEMBL3312820 0.89 IGF1R (1.00) IGF1RCDK2INSRKCNH2
SCHEMBL3316011 0.88 IGF1R (1.00) IGF1RCDK2INSRKCNH2
SCHEMBL3345396 0.88 IGF1R (0.79) IGF1RCDK2INSRKCNH2
SCHEMBL3315074 0.87 IGF1R (0.83) IGF1RCDK2INSRKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 US claimed
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 US disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 US disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 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 (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-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS IGF1R 4384/4885CDK2 64/4885INSR 1896/4885

“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.