SCHEMBL21396065

SCHEMBL21396065

N#Cc1cccc(-c2ccc3c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4n(-c4ccccc4)c3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.46
CYP3A4 P08684 7/20 0.46
ALDH1A1 P00352 5/20 0.46
CLK4 Q9HAZ1 5/20 0.46
CYP2D6 P10635 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
LMNA P02545 4/20 0.46
CYP2C19 P33261 4/20 0.46
TSHR P16473 3/20 0.46
HSD17B10 Q99714 3/20 0.46
CYP2C9 P11712 2/20 0.46
MAPK1 P28482 3/20 0.44
TP53 P04637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A3 P47895 1/20 0.42
USP2 O75604 3/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL21395955 0.98 CYP1A2 (0.44) CYP1A2CYP3A4ALDH1A1CLK4CYP2D6
SCHEMBL15305714 0.96 CYP1A2 (0.46) CYP1A2CYP3A4ALDH1A1CLK4CYP2D6
SCHEMBL15305794 0.96 CYP1A2 (0.46) CYP1A2CYP3A4ALDH1A1CLK4CYP2D6
SCHEMBL21395857 0.95 CYP1A2 (0.50) CYP1A2CYP3A4ALDH1A1CLK4CYP2D6
SCHEMBL15305733 0.95 CYP1A2 (0.44) CYP1A2CYP3A4ALDH1A1CLK4CYP2D6
SCHEMBL17897502 0.93 CYP1A2 (0.49) CYP1A2CYP3A4ALDH1A1CLK4CYP2D6
SCHEMBL21395907 0.92 ABCG2 (0.41) CYP1A2CYP3A4ALDH1A1CLK4CYP2D6
SCHEMBL16807018 0.92 CYP1A2 (0.41) CYP1A2CYP3A4ALDH1A1CLK4CYP2D6
SCHEMBL17032786 0.91 CYP1A2 (0.41) CYP1A2CYP3A4ALDH1A1CLK4CYP2D6
SCHEMBL16939493 0.91 CYP1A2 (0.47) CYP1A2CYP3A4ALDH1A1CLK4CYP2D6

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-20190292169-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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-20190292169-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LAGE3, PPOX, SUN2 CYP1A2 38/4885CYP3A4 25/4885ALDH1A1 91/4885

“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.