SCHEMBL21454039

SCHEMBL21454039

c1ccc(N2c3ccccc3C3(c4ccccc42)c2ccccc2N(c2ccc4c(c2)c2ncccc2n4-c2ccncn2)c2ccccc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.35
RPS6KA5 O75582 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 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
MAPK1 P28482 1/20 0.31
CALCRL Q16602 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
SCHEMBL21453530 0.90 EGLN1 (0.32) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21453529 0.88 CYP1A2 (0.37) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21453571 0.86 PTGDR2 (0.35) PTGDR2RPS6KA5
SCHEMBL21454040 0.86 CYP1A2 (0.33) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21454041 0.86 ALDH1A1 (0.31) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21008815 0.85 CYP1A2 (0.33) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21453953 0.85 CYP1A2 (0.40) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21008711 0.84 CYP1A2 (0.40) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21008717 0.82
SCHEMBL21453537 0.81 ALDH1A1 (0.31) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9

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 PTGDR2 3487/4885RPS6KA5 3905/4885ALDH1A1 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.