SCHEMBL13338451

SCHEMBL13338451

CC(C)N(c1ccc2ccccc2c1)c1ncncn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
UGT2B7 P16662 1/20 0.39
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
HTR6 P50406 2/20 0.35
EGFR P00533 2/20 0.34
PIK3CD O00329 1/20 0.33
ABL1 P00519 1/20 0.33
SRC P12931 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PRKDC P78527 1/20 0.33
HTR2C P28335 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL13338354 0.81 UGT2B7 (0.50) KDM4EUGT2B7HTTNPSR1L3MBTL1
SCHEMBL13338408 0.80 DHFR (0.38) KDM4EHTTEGFRNPC1RAB9A
SCHEMBL13367452 0.79 EGFR (0.40) KDM4EHTTNPSR1L3MBTL1EGFR
SCHEMBL13338453 0.78 SLC6A2 (0.43) KDM4EUGT2B7HTTNPSR1L3MBTL1
SCHEMBL13338722 0.78 CYP17A1 (0.36) KDM4EHTTNPC1RAB9A
SCHEMBL11498366 0.76 UGT2B7 (0.46) KDM4EUGT2B7HTTNPSR1L3MBTL1
SCHEMBL13338391 0.76 UGT2B7 (0.46) KDM4EUGT2B7HTTNPSR1L3MBTL1
SCHEMBL13338736 0.76 CSF1R (0.38) HTTEGFR
SCHEMBL13333997 0.75 KDM4E (0.39) KDM4EUGT2B7HTTNPSR1L3MBTL1
SCHEMBL13338530 0.75 ALDH1A1 (0.35) EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-05-06 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-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OR10J3, OCIAD1, OCIAD2 KDM4E 2780/4885UGT2B7 3367/4885HTT 2003/4885

“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.