SCHEMBL3313859

SCHEMBL3313859

COc1cc(N2C[C@@H]3C[C@H]2CN3)ccc1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 15/20 0.64
CDK2 P24941 4/20 0.64
EGFR P00533 10/20 0.52
KCNH2 Q12809 8/20 0.51
INSR P06213 3/20 0.51
CYP3A4 P08684 1/20 0.48

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
SCHEMBL3313619 0.84 IGF1R (0.71) IGF1RCDK2EGFRKCNH2INSR
SCHEMBL3352606 0.83 IGF1R (0.79) IGF1RCDK2EGFRKCNH2INSR
SCHEMBL3313620 0.82 IGF1R (0.84) IGF1RCDK2EGFRKCNH2CYP3A4
SCHEMBL2349113 0.82 IGF1R (0.70) IGF1RCDK2EGFRKCNH2INSR
SCHEMBL3311495 0.80 IGF1R (0.64) IGF1RCDK2EGFRKCNH2INSR
SCHEMBL2351237 0.78 IGF1R (1.00) IGF1RCDK2EGFRKCNH2INSR
SCHEMBL2348174 0.78 IGF1R (0.77) IGF1RCDK2EGFRKCNH2INSR
SCHEMBL2347443 0.78 IGF1R (0.69) IGF1RCDK2EGFRKCNH2INSR
SCHEMBL2362138 0.77 IGF1R (0.64) IGF1RCDK2EGFRKCNH2INSR
SCHEMBL2345721 0.77 IGF1R (0.85) IGF1RCDK2EGFRKCNH2INSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 64/4885EGFR 2481/4885

“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.