SCHEMBL21927697

SCHEMBL21927697

N#Cc1ccncc1-c1ccc(-c2cccc(N3c4ccccc4N(c4ccccc4)c4ccccc43)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
CYP11B2 P19099 2/20 0.40
FAAH O00519 1/20 0.40
HSP90AA1 P07900 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
MGLL Q99685 1/20 0.40
CYP11B1 P15538 1/20 0.40
ATR Q13535 1/20 0.38
PRKACA P17612 1/20 0.37
CDK8 P49336 1/20 0.37
CLK2 P49760 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CDK9 P50750 1/20 0.37
CDK5 Q00535 1/20 0.37
PRKCQ Q04759 1/20 0.37
ROCK1 Q13464 1/20 0.37
DYRK1A Q13627 1/20 0.37

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
SCHEMBL21927982 0.95 CYP11B2 (0.40) ALDH1A1CYP11B2FAAHHSP90AA1PKM
SCHEMBL21927582 0.95 ATR (0.39) ALDH1A1CYP11B2FAAHHSP90AA1PKM
SCHEMBL21927690 0.92 ALDH1A1 (0.40) ALDH1A1CYP11B2FAAHHSP90AA1PKM
SCHEMBL21927243 0.89 ATR (0.38) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL21927219 0.89 CYP11B2 (0.36) ALDH1A1CYP11B2FAAHHSP90AA1PKM
SCHEMBL21928203 0.89 ATR (0.36) ALDH1A1CYP11B2FAAHHSP90AA1PKM
SCHEMBL21927730 0.87 ATR (0.38) CYP11B2CYP11B1ATRCYP19A1PDE10A
SCHEMBL21927292 0.87 AR (0.35) ALDH1A1CYP11B2FAAHHSP90AA1PKM
SCHEMBL21929622 0.86 PDE10A (0.40) ALDH1A1CYP11B2HTTMGLLATR
SCHEMBL21927403 0.85 CYP1A2 (0.38) ALDH1A1CYP11B2FAAHHSP90AA1PKM

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 ALDH1A1 511/4885CYP11B2 1763/4885FAAH 2675/4885

“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.