SCHEMBL2603540

SCHEMBL2603540

CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(C(=O)c5ccncc5)cc4)c3c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.40
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RORC P51449 1/20 0.35
MAPT P10636 2/20 0.34
CYP46A1 Q9Y6A2 1/20 0.33
NPY5R Q15761 1/20 0.32
HTT P42858 3/20 0.32
PDK2 Q15119 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 3/20 0.32
LTA4H P09960 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
DGAT2 Q96PD7 1/20 0.31

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
SCHEMBL17245642 0.89 DUSP3 (0.40) DUSP3NPY5RL3MBTL1ALDH1A1CYP1A2
SCHEMBL17245709 0.84 KDM4E (0.41) DUSP3RORCL3MBTL1KDM4E
SCHEMBL2603542 0.83 MAPT (0.33) DUSP3RORCMAPTHTTALDH1A1
SCHEMBL17245710 0.83 KDM4E (0.39) DUSP3L3MBTL1ALDH1A1KDM4ERXFP1
SCHEMBL2603504 0.82 MAPT (0.37) DUSP3MEN1KMT2ARORCMAPT
SCHEMBL15434266 0.82 KDM4E (0.42) DUSP3MEN1KMT2ARORCMAPT
SCHEMBL10014056 0.82 KDM4E (0.45) DUSP3MEN1KMT2ARORCMAPT
SCHEMBL12116411 0.82 PDK2 (0.40) DUSP3RORCMAPTPDK2L3MBTL1
SCHEMBL18564331 0.82 DUSP3 (0.36) DUSP3L3MBTL1KDM4E
SCHEMBL23225656 0.81 PGR (0.41) DUSP3RORCMAPTHTTPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040172-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-05-26 US disclosed
US-9040172-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-05-26 US disclosed
US-20120097899-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-04-26 US disclosed
US-20120097899-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-04-26 US disclosed
WO-2011000455-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-01-06 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-20120097899-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO4C1, ICMT, NUDC DUSP3 4312/4885MEN1 1890/4885KMT2A 3703/4885

“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.