SCHEMBL10277723

SCHEMBL10277723

CC(C)(C)OC(=O)C1CCC(c2cc(N)n3nccc3n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.48
CCNA1 P78396 2/20 0.48
CHEK1 O14757 1/20 0.48
CCNA2 P20248 1/20 0.48
PDE10A Q9Y233 1/20 0.39
SRC P12931 1/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
DGAT1 O75907 1/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC8 Q9BY41 4/20 0.33
HDAC6 Q9UBN7 4/20 0.33
MAPKAPK2 P49137 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
JAK2 O60674 1/20 0.31

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
SCHEMBL6890507 1.00 CDK2 (0.48) CDK2CCNA1CHEK1CCNA2PDE10A
SCHEMBL1024592 0.88 PDE10A (0.37) CDK2CCNA1CHEK1CCNA2PDE10A
SCHEMBL6893617 0.88 PDE10A (0.37) CDK2CCNA1CHEK1CCNA2PDE10A
SCHEMBL585004 0.87 CDK2 (0.51) CDK2CCNA1CHEK1CCNA2PDE10A
SCHEMBL10236643 0.87 CDK2 (0.51) CDK2CCNA1CHEK1CCNA2PDE10A
SCHEMBL6892588 0.87 PDE10A (0.41) CDK2CCNA1CHEK1CCNA2PDE10A
SCHEMBL10277658 0.87 PDE10A (0.41) CDK2CCNA1CHEK1CCNA2PDE10A
SCHEMBL2680236 0.83 GPR119 (0.48) CDK2CCNA1CHEK1CCNA2KDM4E
SCHEMBL2679971 0.83 CHEK1 (0.43) CDK2CCNA1CHEK1CCNA2PDE10A
SCHEMBL7882040 0.83 CHEK1 (0.43) CDK2CCNA1CHEK1CCNA2PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448942-B1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
US-8609675-B2 Fused Tricyclic Compounds as novel mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-12-17 US disclosed
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 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-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MTOR, RICTOR, RPTOR CDK2 31/4885CCNA1 97/4885CHEK1 185/4885

“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.