SCHEMBL21928512

SCHEMBL21928512

N#Cc1cncc(-c2ccc(-c3ccccc3N3c4ccccc4Sc4ccccc43)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.41
CYP11B1 P15538 4/20 0.41
MAP4K4 O95819 1/20 0.37
ADORA1 P30542 1/20 0.35
PIK3CG P48736 1/20 0.34
USP7 Q93009 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
BACE1 P56817 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
CDC42BPB Q9Y5S2 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33

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
SCHEMBL21921750 0.94 LMNA (0.38) CYP11B2CYP11B1MAP4K4ADORA1LMNA
SCHEMBL21927903 0.91 CYP11B2 (0.40) CYP11B2CYP11B1MAP4K4BACE1GABRA1
SCHEMBL21928127 0.90 MAPT (0.38) CYP11B2CYP11B1ADORA1USP7LMNA
SCHEMBL21929621 0.84 CYP11B2 (0.42) CYP11B2CYP11B1MAP4K4ADORA1USP7
SCHEMBL21927221 0.83 CYP11B2 (0.42) CYP11B2CYP11B1MAP4K4PIK3CGBACE1
SCHEMBL21928467 0.83 CYP11B2 (0.41) CYP11B2CYP11B1MAP4K4USP7BACE1
SCHEMBL28367159 0.83 LMNA (0.42) CYP11B2LMNATP53MAPT
SCHEMBL17952740 0.81 SMN1; SMN2 (0.39) CYP11B2CYP11B1LMNAMAPT
SCHEMBL21927656 0.81 CYP11B1 (0.40) CYP11B2CYP11B1MAP4K4USP7BACE1
SCHEMBL21928211 0.81 CYP1A2 (0.35) CYP11B2CYP11B1ADORA1LMNATP53

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-20200131150-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-04-30 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-20200131150-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CCNT1, CCNA1, CCNE2 CYP11B2 1763/4885CYP11B1 1316/4885MAP4K4 3348/4885

“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.