SCHEMBL20201466

SCHEMBL20201466

Cc1cccc(N2CN(C)c3ncccc32)c1C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.49
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 3/20 0.38
ADRB1 P08588 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA1A P35348 1/20 0.37
DRD3 P35462 1/20 0.37
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 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
SCHEMBL20201470 0.88 GAA (0.46) GAACYP3A4CYP2C19TP53ADRB1
SCHEMBL17754706 0.88 GAA (0.42) GAATP53ADRB1NOS3NOS1
SCHEMBL20201473 0.86 CYP3A4 (0.43) GAACYP3A4CYP2C19ADRB1DRD2
SCHEMBL20201472 0.81 MAPT (0.41) GAACYP3A4CYP2C19TP53ADRB1
SCHEMBL20201468 0.77 CYP3A4 (0.44) GAACYP3A4CYP2C19ADRB1MAPT
SCHEMBL26350318 0.76 GAA (0.40) GAATP53MAPTSMN1; SMN2LMNA
SCHEMBL16728722 0.75 GAA (0.40) GAATP53ADRB1NOS3NOS1
SCHEMBL20201474 0.75 CYP3A4 (0.41) GAACYP3A4CYP2C19ADRB1MAPT
SCHEMBL20201469 0.75 CYP3A4 (0.41) GAACYP3A4CYP2C19ADRB1MAPT
SCHEMBL178982 0.75 GAA (0.45) GAACYP2C19TP53DRD2MAPT

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 GAA 4467/4885CYP3A4 2528/4885CYP2C19 3024/4885

“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.