SCHEMBL15907129

SCHEMBL15907129

COC(=O)c1ccn2c(C(C)(C)C)nnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 8/20 0.47
RAF1 P04049 1/20 0.47
KCNH2 Q12809 1/20 0.39
GRM2 Q14416 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
XDH P47989 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
JMJD6 Q6NYC1 1/20 0.38
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36

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
SCHEMBL15907100 0.84 MAPK13 (0.49) MAPK13RAF1JMJD6KDM4E
SCHEMBL15907118 0.82 MAPK13 (0.46) MAPK13RAF1AKT1AKT2KDM4E
SCHEMBL18323579 0.81 KDM4E (0.45) KCNH2GRM2CA12CA1CA2
SCHEMBL27272953 0.77 GRM2 (0.48) KCNH2GRM2CA12CA1CA2
SCHEMBL15907136 0.74 ATM (0.40) CA12CA1CA2CA7XDH
SCHEMBL15907130 0.73 MEN1 (0.47) CA12CA1CA2CA7XDH
SCHEMBL16456007 0.72 MAPK13 (0.40) MAPK13RAF1KCNH2GRM2ALDH1A1
SCHEMBL15907117 0.71 KDM4E (0.36) CA12CA1CA2CA7XDH
SCHEMBL24492953 0.71 JMJD6 (0.43) CA12CA1CA2CA7XDH
SCHEMBL976070 0.71 KDM4E (0.48) CA12CA1CA2CA7XDH

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 84/4885KCNH2 3467/4885

“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.