SCHEMBL21453531

SCHEMBL21453531

c1ccc(N2c3ccccc3C3(c4ccccc42)c2ccccc2N(c2ccc4c(n2)c2ncccc2n4-c2cccnc2)c2ccccc23)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.32
METAP2 P50579 2/20 0.32
ALDH1A1 P00352 2/20 0.32
ALOX12 P18054 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
THPO P40225 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GSR P00390 1/20 0.30
TCF4 P15884 1/20 0.30
CTNNB1 P35222 1/20 0.30

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
SCHEMBL21008751 0.93 CYP1A2 (0.31) CYP1A2METAP2ALOX12EGLN1GSR
SCHEMBL21008745 0.93 HTT (0.34) CYP1A2METAP2EGLN1MAPK1MAPT
SCHEMBL21008750 0.90 CYP1A2 (0.30) CYP1A2METAP2
SCHEMBL21008882 0.88 EGLN1 (0.33) CYP1A2METAP2ALOX12CYP3A4EGLN1
SCHEMBL21453539 0.86 ALDH1A1 (0.32) CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL21453370 0.85 CYP1A2 (0.32) CYP1A2METAP2ALOX12RAB9AGSR
SCHEMBL21453953 0.83 CYP1A2 (0.40) CYP1A2METAP2ALDH1A1ALOX12CYP3A4
SCHEMBL21008710 0.83 MDM2 (0.32) CYP1A2METAP2ALOX12GSR
SCHEMBL21008711 0.82 CYP1A2 (0.40) CYP1A2METAP2ALDH1A1ALOX12CYP3A4
SCHEMBL21453956 0.80 ALDH1A1 (0.33) CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C9

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-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-10-10 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-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLCO4C1, SLCO2A1, SLCO1A2 CYP1A2 802/4885METAP2 4394/4885ALDH1A1 569/4885

“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.