SCHEMBL1102679

SCHEMBL1102679

c1ccc2c(-c3ccncn3)c3cnccc3c(-c3ccncn3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.40
MAOB P27338 4/20 0.40
KDM4E B2RXH2 2/20 0.40
ACHE P22303 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
IKBKB O14920 1/20 0.40
AURKA O14965 1/20 0.40
CHUK O15111 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PIM1 P11309 1/20 0.40
TOP1 P11387 1/20 0.40
GABRA1 P14867 1/20 0.40
IDO1 P14902 1/20 0.40
HPGD P15428 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40

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
SCHEMBL1102564 0.82 KDM4E (0.50) MAOAMAOBKDM4EACHEGABRP
SCHEMBL1102511 0.81 MAOA (0.40) MAOAMAOBKDM4EACHEGABRP
SCHEMBL1102614 0.79 METAP2 (0.34) MAOAMAOBKDM4EACHEGABRP
SCHEMBL1102911 0.78 HSP90AA1 (0.42) KDM4EALDH1A1SMN1; SMN2PARP1MAPK13
SCHEMBL29660651 0.77 CYP3A4 (0.49) MAOAMAOBKDM4EACHEALDH1A1
SCHEMBL9601636 0.77 CYP3A4 (0.49) MAOAMAOBKDM4EACHEALDH1A1
SCHEMBL1103296 0.76 CDK4 (0.38) KDM4ELATS1LATS2MAPK13RAF1
SCHEMBL1102721 0.76 MAOA (0.42) MAOAMAOBKDM4EACHEGABRP
SCHEMBL1102567 0.75 CYP2A6 (0.51) KDM4EALDH1A1PIM1HPGDSMN1; SMN2
SCHEMBL1102554 0.74 CYP2A6 (0.47) MAOAMAOBKDM4EACHEGABRP

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
US-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 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-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, OCIAD2, OCIAD1 MAOA 1588/4885MAOB 1209/4885KDM4E 3367/4885

“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.