SCHEMBL9948569

SCHEMBL9948569

COC(=O)c1n[c]nc(-c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
TSHR P16473 1/20 0.46
ERCC1 P07992 1/20 0.43
FEN1 P39748 1/20 0.43
ERCC4 Q92889 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
PDE5A O76074 2/20 0.42
ABCC1 P33527 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
GBA1 P04062 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A2 O94788 1/20 0.40

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
SCHEMBL1870772 0.73 L3MBTL1 (0.52) ALDH1A1TSHRL3MBTL1SMN1; SMN2HPGD
SCHEMBL23467921 0.72 ERCC1 (0.56) ALDH1A1TSHRERCC1FEN1ERCC4
SCHEMBL6643800 0.70 MEN1 (0.60) ALDH1A1TSHRSMN1; SMN2KDM4EHPGD
SCHEMBL5511035 0.69 SMN1; SMN2 (0.61) ALDH1A1TSHRPDE5AABCC1ABCG2
SCHEMBL985111 0.69 LMNA (0.54) ALDH1A1TSHRL3MBTL1ABCC1ABCG2
SCHEMBL2316603 0.68 TSHR (0.59) ALDH1A1TSHRL3MBTL1SMN1; SMN2KDM4E
SCHEMBL21504745 0.68 CYP4F2 (0.61) ALDH1A1TSHRERCC1FEN1ERCC4
SCHEMBL25439893 0.68 TSHR (0.64) ALDH1A1TSHRL3MBTL1PDE5AABCC1
Biphenyl SCHEMBL28575404 0.68 TSHR (0.86) ALDH1A1TSHRL3MBTL1SMN1; SMN2KDM4E
SCHEMBL2834317 0.68 ALDH1A1 (1.00) ALDH1A1ERCC1FEN1ERCC4SMN1; SMN2

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-20120165334-A1 Indole/Benzimidazole Compounds as mTOR Kinase Inhibitors AMGEN INC. (US) 2012-06-28 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-20120165334-A1 Indole/Benzimidazole Compounds as mTOR Kinase Inhibitors MTOR, PIKFYVE, RICTOR ALDH1A1 4371/4885TSHR 3673/4885ERCC1 3334/4885

“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.