SCHEMBL15907116

SCHEMBL15907116

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

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HCAR3 P49019 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
APAF1 O14727 1/20 0.30
RGS12 O14924 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL15907093 0.92 MEN1 (0.33) MEN1KMT2A
SCHEMBL15907104 0.89 KDM5A (0.39) KDM5AKDM5BMEN1KMT2AHCAR3
SCHEMBL15907092 0.87 MEN1 (0.34) MEN1KMT2A
SCHEMBL15907115 0.85 KDM5A (0.37) KDM5AKDM5BMAPK1
SCHEMBL18323626 0.83 BRD4 (0.38) KDM5AKDM5BMEN1KMT2AAPAF1
SCHEMBL15907107 0.81 MEN1 (0.32) MEN1KMT2A
SCHEMBL15907082 0.79 KDM4E (0.37) MEN1KMT2A
SCHEMBL15907108 0.78 KDM4E (0.34) KDM5AKDM5BMEN1KMT2A
SCHEMBL15907124 0.77 MEN1 (0.36) MEN1KMT2A
SCHEMBL15907090 0.76 TSHR (0.41) MEN1KMT2AMAPK1

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 2422/4885MEN1 1500/4885

“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.