SCHEMBL21758235

SCHEMBL21758235

N#Cc1ccc(-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c(-c2ncccc2-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.37
CYP3A4 P08684 7/20 0.37
HSD17B10 Q99714 5/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 5/20 0.36
CLK4 Q9HAZ1 4/20 0.36
MAPK1 P28482 2/20 0.36
TRPA1 O75762 1/20 0.35
NR3C1 P04150 1/20 0.35
CYP2C19 P33261 3/20 0.35
USP2 O75604 2/20 0.34
CYP2D6 P10635 2/20 0.34
HRH1 P35367 1/20 0.34
HTR6 P50406 1/20 0.34
TDO2 P48775 1/20 0.34

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
SCHEMBL21758236 0.97 CYP1A2 (0.39) CYP1A2CYP3A4HSD17B10HPGDKDM4E
SCHEMBL21758510 0.94 STS (0.34) CYP1A2CYP3A4HSD17B10HPGDKDM4E
SCHEMBL21758521 0.90 HRH1 (0.34) HRH1HTR6TDO2PTGER4DDB1
SCHEMBL21758512 0.90 STS (0.34) CYP1A2CYP3A4HSD17B10HPGDKDM4E
SCHEMBL21758517 0.90 TDO2 (0.38) HRH1HTR6TDO2PTGER4DDB1
SCHEMBL21758232 0.89 PTGER4 (0.37) CYP1A2CYP3A4HSD17B10LMNAALDH1A1
SCHEMBL21758351 0.89 TDO2 (0.36) CLK4HRH1HTR6TDO2PTGER4
SCHEMBL21758229 0.89 DDB1 (0.40) KDM4EALDH1A1CLK4HRH1HTR6
SCHEMBL21758520 0.88 GRM5 (0.35) CLK4HRH1HTR6TDO2PTGER4
SCHEMBL21758237 0.88 TDO2 (0.40) CYP1A2CYP3A4ALDH1A1CLK4TDO2

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 CYP1A2 1455/4885CYP3A4 1908/4885HSD17B10 4090/4885

“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.