SCHEMBL15907137

SCHEMBL15907137

CC(C)(C)c1nnc2cc(C(=O)O)cnn12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.35
KDM4E B2RXH2 7/20 0.35
RXRA P19793 3/20 0.35
RXRB P28702 3/20 0.35
RXRG P48443 1/20 0.35
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HCAR3 P49019 1/20 0.33
ALDH1A1 P00352 5/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
HPGDS O60760 1/20 0.32

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
SCHEMBL15907134 0.88 AURKA (0.35) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL15907136 0.84 ATM (0.40) KDM4EL3MBTL1ALDH1A1LMNAHSD17B10
SCHEMBL18323667 0.79 KDM4E (0.47) HCAR2KDM4EL3MBTL1ALDH1A1MEN1
SCHEMBL17975541 0.76 HCAR2 (0.42) HCAR2KDM4EL3MBTL1ALDH1A1MEN1
SCHEMBL15900119 0.75 L3MBTL1 (0.41) HCAR2KDM4ERXRARXRBL3MBTL1
SCHEMBL15907138 0.73 MAPK14 (0.36) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL15907105 0.72 MEN1 (0.37) HCAR2KDM4ERXRARXRBRXRG
SCHEMBL15907101 0.71 MEN1 (0.50) HCAR2KDM4ERXRARXRBRXRG
SCHEMBL15907109 0.69 MEN1 (0.35) KDM4EGRNSORT1HCAR3MEN1
SCHEMBL15907123 0.69 MEN1 (0.35) HCAR2KDM4EGRNSORT1HCAR3

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-9522910-B2 Protein kinase inhibitors (variants), use thereof in treating oncological diseases and a pharmaceutical composition based thereon Obshchestvo s ogranichennoy otvetstvennostyou “Fusion Pharma” (RU) 2016-12-20 US disclosed
US-20140213592-A1 Protein Kinase Inhibitors (Variants), Use Thereof in Treating Oncological Diseases and a Pharmaceutical Composition Based Thereon OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU "FUSION PHARMA" (RU) 2014-07-31 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-20140213592-A1 Protein Kinase Inhibitors (Variants), Use Thereof in Treating Oncological Diseases and a Pharmaceutical Composition Based Thereon ABL1, ABL2, MAP3K6 HCAR2 4292/4885KDM4E 2547/4885RXRA 4367/4885

“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.