SCHEMBL15434752

SCHEMBL15434752

CC1(C)c2ccccc2N2c3cccc4c3N(c3ccccc3C4(C)C)c3cccc1c32

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.42
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
HTT P42858 4/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 8/20 0.38
MEN1 O00255 6/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPK1 P28482 1/20 0.38
PGR P06401 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GAA P10253 3/20 0.35
ALDH1A1 P00352 3/20 0.35
THRB P10828 2/20 0.35
RECQL P46063 2/20 0.35
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 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
SCHEMBL12333544 0.94 KMT2A (0.43) KMT2ACYP2D6CYP1A2HTTLMNA
SCHEMBL17171628 0.89 PGR (0.41) KMT2ACYP2D6CYP1A2HTTLMNA
SCHEMBL15434884 0.88 PGR (0.38) KMT2ACYP2D6CYP1A2HTTLMNA
SCHEMBL15434786 0.88 KMT2A (0.36) KMT2ACYP2D6CYP1A2HTTLMNA
SCHEMBL15434753 0.88 KMT2A (0.42) KMT2ACYP2D6CYP1A2HTTLMNA
SCHEMBL15434877 0.87 KMT2A (0.35) KMT2ACYP2D6CYP1A2HTTLMNA
SCHEMBL12281541 0.86 KMT2A (0.39) KMT2ACYP2D6CYP1A2HTTLMNA
SCHEMBL17171632 0.84 PDE6D (0.38) KMT2ACYP2D6CYP1A2HTTLMNA
SCHEMBL15434809 0.84 MGLL (0.41) KMT2ACYP2D6CYP1A2HTTLMNA
SCHEMBL15434906 0.84 ALDH1A1 (0.37) KMT2ACYP2D6CYP1A2HTTLMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2872589-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-07-26 EP disclosed
US-20150295186-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-10-15 US disclosed
US-20150295186-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-10-15 US disclosed
WO-2014008967-A2 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2014-01-16 WO 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-20150295186-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EPCAM, OR10J3 KMT2A 2170/4885CYP2D6 606/4885CYP1A2 454/4885

“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.