SCHEMBL20201468

SCHEMBL20201468

Cc1cccc(N2CN(C)c3ccccc32)c1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
ADRB1 P08588 1/20 0.43
ALDH1A1 P00352 7/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 3/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.36
MGLL Q99685 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL16728781 0.86 SMN1; SMN2 (0.44) ADRB1ALDH1A1MEN1KMT2AHPGD
SCHEMBL20201469 0.82 CYP3A4 (0.41) CYP3A4CYP2C19ADRB1ALDH1A1KMT2A
SCHEMBL20201474 0.82 CYP3A4 (0.41) CYP3A4CYP2C19ADRB1ALDH1A1KMT2A
SCHEMBL20201466 0.77 GAA (0.49) CYP3A4CYP2C19ADRB1KMT2AGAA
SCHEMBL20201470 0.77 GAA (0.46) CYP3A4CYP2C19ADRB1ALDH1A1KMT2A
SCHEMBL16141591 0.77 KDM4E (0.39) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL20201473 0.75 CYP3A4 (0.43) CYP3A4CYP2C19ADRB1ALDH1A1MEN1
SCHEMBL16772211 0.75 KDM4E (0.36) ALDH1A1HPGDGAAMAPTKDM4E
SCHEMBL20865060 0.74 ALDH1A1 (0.34) ALDH1A1HPGDGAAMAPTKDM4E
SCHEMBL16709190 0.74 ALDH1A1 (0.65) CYP3A4ADRB1ALDH1A1MEN1KMT2A

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 CYP3A4 2528/4885CYP2C19 3024/4885ADRB1 4550/4885

“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.