SCHEMBL21008751

SCHEMBL21008751

c1ccc(C2(c3ccccc3)c3ccccc3N(c3ccc4c(n3)c3ncccc3n4-c3cccnc3)c3ccccc32)cc1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31
METAP2 P50579 1/20 0.31
ALOX12 P18054 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
GSR P00390 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
SCHEMBL21453531 0.93 CYP1A2 (0.32) CYP1A2METAP2ALOX12EGLN1GSR
SCHEMBL21008745 0.90 HTT (0.34) CYP1A2METAP2EGLN1GSR
SCHEMBL21008712 0.89 MDM2 (0.34) CYP1A2METAP2ALOX12GSR
SCHEMBL21008882 0.88 EGLN1 (0.33) CYP1A2METAP2ALOX12EGLN1GSR
SCHEMBL21008750 0.87 CYP1A2 (0.30) CYP1A2METAP2
SCHEMBL21008925 0.85
SCHEMBL21008833 0.84 CYP1A2 (0.40) CYP1A2METAP2ALOX12EGLN1
SCHEMBL21008904 0.81 CYP1A2 (0.38) CYP1A2METAP2ALOX12EGLN1
SCHEMBL21453370 0.80 CYP1A2 (0.32) CYP1A2METAP2ALOX12GSR
SCHEMBL21008839 0.79 KDM4E (0.30)

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-20190148647-A1 NITROGEN-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-05-16 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-20190148647-A1 NITROGEN-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME CRY2, NUCB2, NOX1 CYP1A2 805/4885METAP2 1773/4885ALOX12 1930/4885

“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.