SCHEMBL21758237

SCHEMBL21758237

N#Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2ncccc2-n2c3ccccc3c3cc(-c4cccc(C#N)c4)ccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.40
CLK4 Q9HAZ1 3/20 0.40
GRM5 P41594 6/20 0.39
MAP4K4 O95819 1/20 0.38
NEK1 Q96PY6 1/20 0.37
ALDH1A3 P47895 1/20 0.36
KCNN4 O15554 1/20 0.36
KCNA5 P22460 1/20 0.36
PDE10A Q9Y233 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ELANE P08246 1/20 0.36
ADORA2A P29274 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
SCHEMBL21758238 0.96 CLK4 (0.43) TDO2CLK4GRM5MAP4K4NEK1
SCHEMBL21758351 0.95 TDO2 (0.36) TDO2CLK4GRM5ALDH1A3KCNN4
SCHEMBL21758520 0.94 GRM5 (0.35) TDO2CLK4GRM5MAP4K4NEK1
SCHEMBL21758517 0.94 TDO2 (0.38) TDO2MAP4K4PDE10A
SCHEMBL21758234 0.92 ELANE (0.39) TDO2CLK4GRM5ALDH1A3CYP1A2
SCHEMBL21758359 0.92 GABRA1 (0.36) TDO2CLK4GRM5MAP4K4NEK1
SCHEMBL23348004 0.91 ABCG2 (0.41) TDO2CLK4GRM5ALDH1A3CYP1A2
SCHEMBL21758229 0.90 DDB1 (0.40) TDO2CLK4ALDH1A1
SCHEMBL21758233 0.90 PTGER4 (0.37) TDO2ELANE
SCHEMBL21758514 0.89 GRM5 (0.35) TDO2CLK4GRM5MAP4K4NEK1

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-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-27 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-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OXER1, OR10J3, OXGR1 TDO2 89/4885CLK4 3016/4885GRM5 3349/4885

“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.