SCHEMBL2606530

SCHEMBL2606530

CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2cc3c(cc21)-c1cc2ccc(N(c4ccccc4)c4ccccc4)cc2cc1C3(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.37
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.32
CRHBP P24387 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
CRHR2 Q13324 1/20 0.32
TLR9 Q9NR96 1/20 0.32

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
SCHEMBL18353785 0.99 PDK2 (0.38) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL13341815 0.96 PDK2 (0.36) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL22742533 0.96 ALDH1A1 (0.39) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL19198030 0.95 PDK2 (0.40) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL15895301 0.95 PDK2 (0.34) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL23598087 0.94 PDK2 (0.41) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL24236308 0.94 PDK2 (0.41) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL23597995 0.94 PDK2 (0.41) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL22739817 0.94 ALDH1A1 (0.38) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL24236409 0.93 PDK2 (0.35) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8241763-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-08-14 US disclosed
US-8241763-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-08-14 US disclosed
EP-2038370-B1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-04-25 EP disclosed
US-20090261717-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-10-22 US disclosed
US-20090261717-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-10-22 US disclosed
WO-2008006449-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-01-17 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-20090261717-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, SLC26A3, SLCO4C1 PDK2 2586/4885ALDH1A1 600/4885L3MBTL1 1995/4885

“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.