SCHEMBL21454040

SCHEMBL21454040

c1ccc(N2c3ccccc3C3(c4ccccc42)c2ccccc2N(c2ccc4c(c2)c2ncccc2n4-c2cncnc2)c2ccccc23)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.33
METAP2 P50579 1/20 0.33
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
MAPK1 P28482 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
SCHEMBL21008815 0.99 CYP1A2 (0.33) CYP1A2METAP2ALDH1A1CYP3A4CYP2D6
SCHEMBL21008728 0.94 CYP1A2 (0.31) CYP1A2METAP2
SCHEMBL21008726 0.93 CYP1A2 (0.31) CYP1A2METAP2
SCHEMBL21453953 0.93 CYP1A2 (0.40) CYP1A2METAP2ALDH1A1CYP3A4CYP2D6
SCHEMBL21008746 0.92
SCHEMBL21008711 0.92 CYP1A2 (0.40) CYP1A2METAP2ALDH1A1CYP3A4CYP2D6
SCHEMBL21008725 0.90
SCHEMBL21453529 0.90 CYP1A2 (0.37) CYP1A2METAP2ALDH1A1CYP3A4CYP2D6
SCHEMBL21008822 0.89 CYP1A2 (0.32) CYP1A2METAP2
SCHEMBL21008833 0.88 CYP1A2 (0.40) CYP1A2METAP2ALDH1A1

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.