SCHEMBL15907135

SCHEMBL15907135

Cc1cnn2c(C(C)(C)C)nnc2c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL1665000 0.84 CYP1A2 (0.44) KDM4EALDH1A1LMNACYP1A2HPGD
SCHEMBL18323596 0.76 KDM4E (0.50) KDM4EALDH1A1LMNACYP1A2HPGD
SCHEMBL15907134 0.75 AURKA (0.35) KDM4EALDH1A1LMNACYP1A2HPGD
SCHEMBL21848974 0.69 KDM4E (0.39) KDM4EALDH1A1CYP1A2HPGD
SCHEMBL14030430 0.68 MEN1 (0.47) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL15907080 0.68 KDM4E (0.60) KDM4EMEN1KMT2A
SCHEMBL9689111 0.68 KDM4E (0.46) KDM4ELMNAHPGDHSD17B10KMT2A
SCHEMBL15907119 0.67 DNMT1 (0.56) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9691180 0.66 HPGD (0.56) KDM4EALDH1A1LMNACYP1A2HPGD
SCHEMBL23102794 0.64 GABRA1 (0.40) KDM4EALDH1A1CYP1A2HPGDNFKB1

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 3414/4885LMNA 3357/4885

“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.