SCHEMBL24065748

SCHEMBL24065748

N#Cc1ccc(-c2ccc(-c3ccc(-c4nc5ccccc5nc4-c4cccc5ccccc45)c4ccccc34)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
IDO1 P14902 1/20 0.41
MCL1 Q07820 1/20 0.39
ADORA2A P29274 1/20 0.39
PIM1 P11309 1/20 0.39
HSD11B1 P28845 1/20 0.39
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
TDO2 P48775 1/20 0.39
ALOX5 P09917 1/20 0.38

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
SCHEMBL24065776 0.97 ALDH1A1 (0.42) CYP1A2CA1CA2CA12CA9
SCHEMBL24065746 0.97 ALDH1A1 (0.42) CYP1A2CA1CA2CA12CA9
SCHEMBL24065771 0.94 ALDH1A1 (0.43) CYP1A2CA1CA2CA12CA9
SCHEMBL24065753 0.87 ALDH1A1 (0.51) MEN1KMT2AATMADORA2AABCG2
SCHEMBL24065745 0.87 ALDH1A1 (0.51) MEN1KMT2AATMADORA2AABCG2
SCHEMBL22360100 0.87 CA1 (0.51) CYP1A2CA1CA2CA12CA9
SCHEMBL24065795 0.86 ABCG2 (0.43) CYP1A2CA1CA2CA12CA9
SCHEMBL24065798 0.86 ABCG2 (0.48) CYP1A2MEN1KMT2AATMCYP2C9
SCHEMBL24065747 0.85 ALDH1A1 (0.44) CA1CA2MEN1KMT2AATM
SCHEMBL10051189 0.85 CYP1A2 (0.49) CYP1A2CA1CA2CA12CA9

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-20210376253-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2021-12-02 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-20210376253-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME TRPC4, CRY1, TRPC1 CYP1A2 181/4885CA1 2864/4885CA2 2980/4885

“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.