SCHEMBL13367452

SCHEMBL13367452

CN(c1ccc2ccccc2c1)c1ncncn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.40
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DOT1L Q8TEK3 1/20 0.38
KDM4E B2RXH2 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
CYP2A6 P11509 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 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
SCHEMBL5441435 0.79 HTT (0.49) HTTNPSR1L3MBTL1SIGMAR1CYP2A6
SCHEMBL13338451 0.79 KDM4E (0.39) EGFRHTTNPSR1L3MBTL1KDM4E
SCHEMBL27634836 0.78 ALDH1A1 (0.41) EGFRHTTNPSR1L3MBTL1KDM4E
SCHEMBL795930 0.77 EGFR (0.46) EGFRHTTL3MBTL1
SCHEMBL13367500 0.75 MAPK1 (0.40) EGFRL3MBTL1KDM4ETDP1NPC1
SCHEMBL16920398 0.75 CHRM5 (0.43) HTTNPSR1L3MBTL1DOT1LKDM4E
SCHEMBL29619639 0.74 NPSR1 (0.45) HTTNPSR1L3MBTL1KDM4ESIGMAR1
SCHEMBL844507 0.74 NPSR1 (0.45) HTTNPSR1L3MBTL1KDM4ESIGMAR1
SCHEMBL25812224 0.73 ALDH1A1 (0.44) HTTNPSR1L3MBTL1DOT1LSIGMAR1
SCHEMBL13367447 0.72 DOT1L (0.44) HTTNPSR1L3MBTL1DOT1LKDM4E

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 EGFR 1659/4885HTT 2003/4885NPSR1 3333/4885

“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.