SCHEMBL15907104

SCHEMBL15907104

CCCCc1cc(C(=O)O)cc2nnc(C(C)(C)C)n12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.39
KDM5B Q9UGL1 2/20 0.39
HCAR3 P49019 4/20 0.36
HCAR2 Q8TDS4 3/20 0.36
CTRC Q99895 1/20 0.35
RARB P10826 1/20 0.35
PLA2G2A P14555 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
OXER1 Q8TDS5 1/20 0.32
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 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
SCHEMBL15907121 0.92 PPARG (0.34) KDM5AKDM5BHCAR3HCAR2PLA2G2A
SCHEMBL15907123 0.87 MEN1 (0.35) HCAR3HCAR2MEN1KMT2A
SCHEMBL15907115 0.86 KDM5A (0.37) KDM5AKDM5BKDM4C
SCHEMBL18323578 0.83 KDM5A (0.41) KDM5AKDM5BHCAR3HCAR2CTRC
SCHEMBL15907132 0.81 HCAR2 (0.35) KDM5AKDM5BHCAR3HCAR2KDM4C
SCHEMBL15907093 0.81 MEN1 (0.33) MEN1KMT2A
SCHEMBL15907082 0.80 KDM4E (0.37) MEN1KMT2A
SCHEMBL15907108 0.79 KDM4E (0.34) KDM5AKDM5BKDM4CMEN1KMT2A
SCHEMBL15907105 0.76 MEN1 (0.37) KDM5AKDM5BHCAR3HCAR2KDM4C
SCHEMBL15907101 0.75 MEN1 (0.50) HCAR3HCAR2MEN1KMT2A

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 KDM5A 2056/4885KDM5B 2422/4885HCAR3 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.