SCHEMBL3311495

SCHEMBL3311495

COc1cc(C2CNC2)ccc1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 13/20 0.64
CDK2 P24941 4/20 0.64
KCNH2 Q12809 8/20 0.57
EGFR P00533 10/20 0.57
INSR P06213 2/20 0.53
CCNT1 O60563 1/20 0.53
CCNK O75909 1/20 0.53
CCNE1 P24864 1/20 0.53
CDK7 P50613 1/20 0.53
CDK9 P50750 1/20 0.53
CCNH P51946 1/20 0.53
MNAT1 P51948 1/20 0.53
CDK12 Q9NYV4 1/20 0.53
CYP3A4 P08684 1/20 0.53

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
SCHEMBL2347443 0.92 IGF1R (0.69) IGF1RCDK2KCNH2EGFRINSR
SCHEMBL2344345 0.84 IGF1R (0.65) IGF1RCDK2KCNH2EGFRINSR
SCHEMBL2342901 0.84 IGF1R (0.65) IGF1RCDK2KCNH2EGFRINSR
SCHEMBL3313620 0.84 IGF1R (0.84) IGF1RCDK2KCNH2EGFRCYP3A4
SCHEMBL2349113 0.84 IGF1R (0.70) IGF1RCDK2KCNH2EGFRINSR
SCHEMBL2349062 0.83 IGF1R (0.66) IGF1RCDK2KCNH2EGFRINSR
SCHEMBL2346628 0.83 EGFR (0.67) IGF1RCDK2KCNH2EGFRCDK7
SCHEMBL3310189 0.83 EGFR (0.67) IGF1RCDK2KCNH2EGFRCDK7
SCHEMBL3349646 0.83 EGFR (0.67) IGF1RCDK2KCNH2EGFRCDK7
SCHEMBL2354282 0.83 IGF1R (0.74) IGF1RCDK2KCNH2EGFRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 64/4885KCNH2 3082/4885

“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.