SCHEMBL21928085

SCHEMBL21928085

N#Cc1cccc(-c2ccccc2-n2c3ccccc3c3ccccc32)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.37
CTSS P25774 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LRRK2 Q5S007 1/20 0.35
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
ADORA2A P29274 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
AHR P35869 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
IDH1 O75874 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32

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
SCHEMBL21927562 0.94 CTSS (0.35) DUSP3CTSSALDH1A1LRRK2PIM1
SCHEMBL21927874 0.90 ENPP3 (0.36) DUSP3CTSSALDH1A1PIM1PIM3
SCHEMBL21927889 0.89 CTSS (0.39) CTSSALDH1A1PIM1PIM3PIM2
SCHEMBL21928082 0.87 CTSS (0.46) CTSSALDH1A1LRRK2PIM1PIM3
SCHEMBL21927599 0.86 ENPP3 (0.35) CTSSALDH1A1LRRK2PIM1PIM3
SCHEMBL21927383 0.85 CA1 (0.38) CTSSALDH1A1LRRK2PIM1PIM3
SCHEMBL12856695 0.85 DUSP3 (0.44) DUSP3ALDH1A1KDM4EATML3MBTL1
SCHEMBL21927488 0.84 PIM1 (0.32) CTSSLRRK2PIM1ADORA2AAHR
SCHEMBL21927684 0.84 PIM1 (0.32) CTSSLRRK2PIM1ADORA2AAHR
SCHEMBL21927470 0.82 EGLN2 (0.37) DUSP3ALDH1A1

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 DUSP3 4872/4885CTSS 2917/4885ALDH1A1 511/4885

“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.