SCHEMBL21472388

SCHEMBL21472388

c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7sc8ccccc8c7c6)n5)cc4)c3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 2/20 0.37
LIMK1 P53667 1/20 0.35
CYP1A2 P05177 1/20 0.34
ROCK1 Q13464 1/20 0.34
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
AVPR1A P37288 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GPR3 P46089 1/20 0.33
F9 P00740 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXRA P19793 1/20 0.32
PIK3CA P42336 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
SCHEMBL21472672 0.98 KDM4E (0.38) PIM3LIMK1CYP1A2ROCK1MAPT
SCHEMBL21472254 0.97 PIM3 (0.35) PIM3LIMK1CYP1A2ROCK1MAPT
SCHEMBL24222006 0.96 ATM (0.37) PIM3LIMK1CYP1A2ROCK1MAPT
SCHEMBL21472232 0.96 KDM4E (0.36) PIM3LIMK1CYP1A2ROCK1MAPT
SCHEMBL22257590 0.95 KDM4E (0.40) PIM3LIMK1ROCK1MAPTMEN1
SCHEMBL22257953 0.94 KDM4E (0.37) PIM3LIMK1ROCK1MAPTMEN1
SCHEMBL22352285 0.94 KDM4E (0.37) PIM3LIMK1ROCK1MAPTMEN1
SCHEMBL24221921 0.94 KDM4E (0.37) PIM3LIMK1CYP1A2ROCK1MAPT
SCHEMBL22257976 0.94 KDM4E (0.37) PIM3LIMK1ROCK1MAPTMEN1
SCHEMBL12092994 0.94 AVPR1A (0.38) PIM3LIMK1ROCK1MAPTMEN1

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-20190319196-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND NITROGEN-CONTAINING COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-10-17 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-20190319196-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND NITROGEN-CONTAINING COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE NUDC, EML4, SLC7A5 PIM3 1064/4885LIMK1 1255/4885CYP1A2 1186/4885

“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.