SCHEMBL25544841

SCHEMBL25544841

N#Cc1ccc(N(c2ccc3c(c2)oc2cc(C#N)ccc23)c2ccc3c(c2)oc2cc(C#N)ccc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.37
CYP2A6 P11509 2/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
KDM4E B2RXH2 4/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAOB P27338 2/20 0.35
TDO2 P48775 1/20 0.34
TNKS O95271 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HTT P42858 3/20 0.33
ALOX15 P16050 3/20 0.33
HSD17B10 Q99714 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
PGR P06401 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
SCHEMBL25544856 0.92 IDO1 (0.40) IDO1CYP2A6NOS3NOS1NOS2
SCHEMBL25544847 0.90 IDO1 (0.36) IDO1CYP2A6NOS3NOS1NOS2
SCHEMBL25544858 0.89 PGR (0.42) IDO1MAPTTNKSALOX15SMN1; SMN2
SCHEMBL25544989 0.89 PGR (0.42) IDO1MAPTTNKSALOX15SMN1; SMN2
SCHEMBL25544844 0.88 KDM4E (0.35) IDO1CYP2A6NOS3NOS1NOS2
SCHEMBL17936161 0.85 CA1 (0.38) IDO1CYP2A6KDM4EMAPTMEN1
SCHEMBL17936235 0.85 TNKS (0.41) MAPTTNKSALDH1A1ALOX15SMN1; SMN2
SCHEMBL548396 0.84 IDO1 (0.45) IDO1CYP2A6NOS3NOS1NOS2
SCHEMBL14295624 0.83 TNKS (0.48) KDM4EMAPTMEN1KMT2ATNKS
SCHEMBL25544984 0.82 IDO1 (0.38) IDO1MEN1KMT2ATNKSALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230301181-A1 TERTIARY AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME LAPTO CO., LTD. (KR) 2023-09-21 US disclosed
EP-4183784-A1 TERTIARY AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME Lapto Co., Ltd. (KR) 2023-05-24 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-20230301181-A1 TERTIARY AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME SAT1, FTO, SETDB1 IDO1 930/4885CYP2A6 4099/4885NOS3 1403/4885

“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.