SCHEMBL20201467

SCHEMBL20201467

Cc1cccc(N2C=CN(C)C2)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.43
ALDH1A1 P00352 7/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.37
LMNA P02545 3/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 3/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL16728719 0.85 SMN1; SMN2 (0.42) ADRB1ALDH1A1NPSR1KMT2AMEN1
SCHEMBL8334894 0.72 GSK3A (0.38) ALDH1A1TSHRGAAHPGDMAPT
SCHEMBL10988134 0.72 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1CYP3A4MAPK1
SCHEMBL1156328 0.71 ALDH1A1 (0.48) ADRB1ALDH1A1NPSR1KMT2AMEN1
SCHEMBL11504386 0.71 ADRB1 (0.62) ADRB1ALDH1A1NPSR1KMT2AMEN1
Iodide SCHEMBL15993211 0.70 GSK3A (0.37) ALDH1A1TSHRL3MBTL1
SCHEMBL14675416 0.70 MGLL (0.43) NPSR1KMT2AMEN1TSHRLMNA
SCHEMBL16141627 0.70 HSD17B10 (0.46) ALDH1A1KMT2AMEN1CYP3A4CYP2C19
SCHEMBL20865249 0.70 BRD1 (0.32) CYP2C19HTT
SCHEMBL30387973 0.70 TDP2 (0.32)

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-20180151816-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2018-05-31 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-20180151816-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES TEC, EML4, TPR ADRB1 4550/4885ALDH1A1 2604/4885NPSR1 4306/4885

“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.