SCHEMBL21453529

SCHEMBL21453529

c1ccc(N2c3ccccc3C3(c4ccccc42)c2ccccc2N(c2ccc4c(c2)c2ncccc2n4-c2ccncc2)c2ccccc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
THPO P40225 1/20 0.37
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ATM Q13315 1/20 0.33
METAP2 P50579 1/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
EGLN1 Q9GZT9 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
SCHEMBL21453953 0.91 CYP1A2 (0.40) CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL21454040 0.90 CYP1A2 (0.33) CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL21008711 0.90 CYP1A2 (0.40) CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL21454041 0.89 ALDH1A1 (0.31) CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL21008815 0.89 CYP1A2 (0.33) CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL21454039 0.88 PTGDR2 (0.35) CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL21453530 0.87 EGLN1 (0.32) CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL21008833 0.85 CYP1A2 (0.40) CYP1A2ALDH1A1KDM4EMETAP2KMT2A
SCHEMBL21453372 0.85 KDM4E (0.33) CYP1A2ALDH1A1MAPK1KDM4EL3MBTL1
SCHEMBL21008831 0.85 CYP1A2 (0.39) CYP1A2METAP2EGLN1

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 802/4885ALDH1A1 569/4885CYP3A4 1243/4885

“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.