SCHEMBL21928142

SCHEMBL21928142

N#Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1cccc(-c2ncccc2C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.37
HRH1 P35367 1/20 0.36
HTR6 P50406 1/20 0.36
GABRA1 P14867 5/20 0.35
GABRG2 P18507 5/20 0.35
GABRB3 P28472 5/20 0.35
GABRA2 P47869 4/20 0.35
GABRA5 P31644 3/20 0.35
GABRA3 P34903 3/20 0.35
METAP2 P50579 1/20 0.35
CLK4 Q9HAZ1 1/20 0.34
KCNN4 O15554 1/20 0.34
KCNA5 P22460 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
PDE4B Q07343 1/20 0.34
ELANE P08246 2/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 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
SCHEMBL21928083 0.93 METAP2 (0.38) TDO2GABRA1GABRG2GABRB3GABRA2
SCHEMBL21927544 0.92 HRH1 (0.38) TDO2HRH1HTR6GABRA1GABRG2
SCHEMBL21927473 0.90 METAP2 (0.36) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL21927594 0.90 HRH1 (0.40) TDO2HRH1HTR6GABRA1GABRG2
SCHEMBL21927248 0.88 TDO2 (0.38) TDO2HRH1HTR6METAP2CLK4
SCHEMBL21927855 0.88 TDO2 (0.39) TDO2HRH1HTR6METAP2CLK4
SCHEMBL21927601 0.88 HRH1 (0.39) TDO2HRH1HTR6GABRA1GABRG2
SCHEMBL21927503 0.87 METAP2 (0.36) HRH1HTR6METAP2CLK4DDB1
SCHEMBL21927381 0.86 PDE4B (0.41) HRH1HTR6GABRA1GABRG2GABRB3
SCHEMBL21928118 0.86 GABRA1 (0.38) TDO2HRH1HTR6GABRA1GABRG2

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-20200131150-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-04-30 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-20200131150-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CCNT1, CCNA1, CCNE2 TDO2 3165/4885HRH1 672/4885HTR6 3496/4885

“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.