SCHEMBL15907100

SCHEMBL15907100

CC(C)(C)c1nnc2cc(C(=O)O)ccn12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 11/20 0.49
RAF1 P04049 1/20 0.49
HCAR3 P49019 3/20 0.39
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
SRD5A2 P31213 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
JMJD6 Q6NYC1 1/20 0.34
MAPK14 Q16539 1/20 0.33

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
SCHEMBL15907118 0.86 MAPK13 (0.46) MAPK13RAF1KDM4EMEN1KMT2A
SCHEMBL15907129 0.84 MAPK13 (0.47) MAPK13RAF1KDM4EJMJD6
SCHEMBL10378912 0.79 KDM4E (0.40) HCAR3KDM4EMEN1KMT2AJMJD6
SCHEMBL17229830 0.75 MAPK13 (0.49) MAPK13HCAR3JMJD6MAPK14
SCHEMBL15900088 0.75 DNMT1 (0.45) HCAR3RXRARXRBKDM4EMEN1
SCHEMBL22958082 0.75 NR4A1 (0.42) HCAR3KDM4EMEN1KMT2AJMJD6
SCHEMBL15907119 0.75 DNMT1 (0.56) MAPK13RAF1KDM4EMEN1KMT2A
SCHEMBL16456007 0.75 MAPK13 (0.40) MAPK13RAF1MEN1KMT2AMAPK14
SCHEMBL20053791 0.74 HCAR3 (0.35) MAPK13HCAR3KDM4EMEN1KMT2A
SCHEMBL3622319 0.73 MAPK13 (0.39) MAPK13RAF1MEN1KMT2AMAPK14

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 MAPK13 59/4885RAF1 84/4885HCAR3 4451/4885

“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.