SCHEMBL1102691

SCHEMBL1102691

c1ccc(N2c3ccccc3N(c3ccccc3)c3cc(-c4c5ccccc5c(-c5ccc6c(c5)N(c5ccccc5)c5ccccc5N6c5ccccc5)c5cnccc45)ccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.36
GSK3B P49841 1/20 0.33
KCNH2 Q12809 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
KDM4E B2RXH2 2/20 0.32
TNF P01375 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
RAD52 P43351 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
THPO P40225 1/20 0.32
ACHE P22303 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 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
SCHEMBL1102556 0.86 DYRK1A (0.33) DYRK1AGSK3BKCNH2CDK4CCND1
SCHEMBL1102768 0.86 ACHE (0.37) DYRK1AGSK3BKCNH2CDK4CCND1
SCHEMBL1102692 0.85 ADRA2A (0.37) DYRK1AGSK3BKCNH2POLBALDH1A1
SCHEMBL1102524 0.85 CDK8 (0.34) DYRK1AGSK3BKCNH2CDK4CCND1
SCHEMBL1102623 0.84 DYRK1A (0.32) DYRK1A
SCHEMBL1102548 0.83 ALDH1A1 (0.36) DYRK1ACDK4CCND1ALDH1A1CYP1A2
SCHEMBL1102877 0.81 HTT (0.35) KDM4EHTTALDH1A1CYP1A2CYP3A4
SCHEMBL1102753 0.78 KDM4E (0.50) DYRK1AGSK3BKCNH2CDK4KDM4E
SCHEMBL13158710 0.77 FAAH (0.34) KDM4EHTTALDH1A1CYP1A2CYP3A4
SCHEMBL1103349 0.76 ADORA3 (0.34) KCNH2CDK4CCND1KDM4EGABRA1

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-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
EP-2147962-A1 Azaanthracene-derivatives and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-01-27 EP 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 DYRK1A 4241/4885GSK3B 3423/4885KCNH2 526/4885

“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.