SCHEMBL15907113

SCHEMBL15907113

COC(=O)c1cc(OC)n2c(C(C)(C)C)nnc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 1/20 0.41
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA12 O43570 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
POLB P06746 2/20 0.36
XDH P47989 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.36
GFER P55789 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
FUT7 Q11130 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.34

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
SCHEMBL15907128 0.87 CREBBP (0.36) KDM4EALDH1A1CA1CA2CA12
SCHEMBL15907130 0.83 MEN1 (0.47) KDM4EALDH1A1CA1CA2CA12
SCHEMBL18323595 0.81 KDM4E (0.44) KDM4EALDH1A1CA1CA2CA12
SCHEMBL15907117 0.81 KDM4E (0.36) KDM4EALDH1A1CA1CA2CA12
SCHEMBL15907108 0.79 KDM4E (0.34) KDM4EALDH1A1CA1CA2CA12
SCHEMBL15907111 0.79 HSD17B10 (0.38) KDM4EALDH1A1CA1CA2CA12
SCHEMBL15907112 0.79 KDM4E (0.34) KDM4EALDH1A1CA1CA2CA12
SCHEMBL18323607 0.78 KDM4E (0.41) KDM4EALDH1A1CA1CA2CA12
SCHEMBL15907115 0.77 KDM5A (0.37) KDM4EALDH1A1CA1CA2CA12
SCHEMBL15907095 0.76 KDM4E (0.41) KDM4EMEN1KMT2A

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 KDM4E 2547/4885ALDH1A1 3414/4885CA1 3996/4885

“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.