SCHEMBL15907119

SCHEMBL15907119

Cc1ccn2c(C(C)(C)C)nnc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.56
MAPK13 O15264 3/20 0.43
RAF1 P04049 1/20 0.43
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 6/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
MAPK14 Q16539 3/20 0.37
GAA P10253 2/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
GFER P55789 1/20 0.36
COMT P21964 1/20 0.36
USP7 Q93009 1/20 0.36
HSD17B10 Q99714 1/20 0.35
CYP11B1 P15538 1/20 0.35

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
SCHEMBL16456007 0.81 MAPK13 (0.40) DNMT1MAPK13RAF1ALDH1A1MEN1
SCHEMBL15907139 0.80 MAPK14 (0.48) DNMT1MAPK13RAF1MEN1KMT2A
SCHEMBL3622319 0.80 MAPK13 (0.39) DNMT1MAPK13RAF1MEN1KMT2A
SCHEMBL7921091 0.76 DNMT1 (0.63) DNMT1ALDH1A1KDM4EMAPTPIM1
SCHEMBL21577674 0.75 MAPK13 (0.39) DNMT1MAPK13RAF1MEN1KMT2A
SCHEMBL16455974 0.75 DNMT1 (0.49) DNMT1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL20646854 0.74 MAPK13 (0.38) MAPK13RAF1ALDH1A1MEN1KMT2A
SCHEMBL15907118 0.74 MAPK13 (0.46) MAPK13RAF1ALDH1A1KDM4EMEN1
SCHEMBL10224281 0.73 KDM4E (0.50) MAPK13ALDH1A1KDM4EMEN1KMT2A
SCHEMBL19261453 0.73 DNMT1 (0.59) DNMT1ALDH1A1KDM4EMAPTPIM1

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 DNMT1 4298/4885MAPK13 59/4885RAF1 84/4885

“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.