SCHEMBL3310189

SCHEMBL3310189

COc1cc(C2CCN(C(=O)[C@@H](C)O)CC2)ccc1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.67
IGF1R P08069 16/20 0.66
CDK2 P24941 6/20 0.66
KCNH2 Q12809 9/20 0.64
CYP3A4 P08684 3/20 0.64
CDK1 P06493 1/20 0.64
MAPK1 P28482 1/20 0.64
CDK8 P49336 1/20 0.64
CDK7 P50613 1/20 0.64
CDK9 P50750 1/20 0.64

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
SCHEMBL3349646 1.00 EGFR (0.67) EGFRIGF1RCDK2KCNH2CYP3A4
SCHEMBL2346628 1.00 EGFR (0.67) EGFRIGF1RCDK2KCNH2CYP3A4
SCHEMBL2344345 0.93 IGF1R (0.65) EGFRIGF1RCDK2KCNH2CYP3A4
SCHEMBL2342901 0.93 IGF1R (0.65) EGFRIGF1RCDK2KCNH2CYP3A4
SCHEMBL2345514 0.92 IGF1R (0.60) EGFRIGF1RCDK2KCNH2CYP3A4
SCHEMBL2352771 0.92 IGF1R (0.60) EGFRIGF1RCDK2KCNH2CYP3A4
SCHEMBL2349062 0.90 IGF1R (0.66) EGFRIGF1RCDK2KCNH2
SCHEMBL2361496 0.89 IGF1R (0.84) EGFRIGF1RCDK2KCNH2CYP3A4
SCHEMBL3378394 0.89 IGF1R (0.84) EGFRIGF1RCDK2KCNH2CYP3A4
SCHEMBL2365358 0.89 IGF1R (0.84) EGFRIGF1RCDK2KCNH2CYP3A4

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
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 US claimed
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 EGFR 2481/4885IGF1R 4384/4885CDK2 64/4885

“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.