SCHEMBL15907115

SCHEMBL15907115

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
TLR7 Q9NYK1 6/20 0.35
TLR8 Q9NR97 6/20 0.35
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
MDH1 P40925 1/20 0.32
NPC1 O15118 1/20 0.32
CASP1 P29466 1/20 0.32
RAB9A P51151 1/20 0.32
NOTUM Q6P988 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL15907108 0.93 KDM4E (0.34) KDM5AKDM4CKDM5BTLR7KDM4E
SCHEMBL15907110 0.88 KDM4E (0.36) KDM4EALDH1A1CA12CA1CA2
SCHEMBL15907104 0.86 KDM5A (0.39) KDM5AKDM4CKDM5B
SCHEMBL18323592 0.84 KDM5A (0.39) KDM5AKDM4CKDM5BTLR7TLR8
SCHEMBL15907133 0.84 CA1 (0.37) KDM4EALDH1A1CA12CA1CA2
SCHEMBL15907128 0.78 CREBBP (0.36) KDM4EALDH1A1CA12CA1CA2
SCHEMBL15907093 0.78 MEN1 (0.33) TSHR
SCHEMBL15907130 0.77 MEN1 (0.47) KDM4EALDH1A1CA12CA1CA2
SCHEMBL15907113 0.77 KDM4E (0.41) KDM4EALDH1A1CA12CA1CA2
SCHEMBL15907082 0.77 KDM4E (0.37) KDM4E

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 2056/4885KDM4C 3553/4885KDM5B 2422/4885

“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.