SCHEMBL21396779

SCHEMBL21396779

N#Cc1cccc(-c2ncccc2-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.34
HIF1A Q16665 2/20 0.33
SLC22A12 Q96S37 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PDE4B Q07343 1/20 0.33
IMPDH2 P12268 1/20 0.33
RPS6KB1 P23443 1/20 0.32
ROCK1 Q13464 1/20 0.32
CNR2 P34972 1/20 0.32
IDO1 P14902 1/20 0.32
ELANE P08246 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
KMT2A Q03164 2/20 0.32
TGFBR1 P36897 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
ALOX12 P18054 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
SCHEMBL21396659 0.92 SMN1; SMN2 (0.35) LRRK2HIF1ASLC22A12SMN1; SMN2PDE4B
SCHEMBL21396741 0.89 TGFBR1 (0.39) RPS6KB1ROCK1TGFBR1MAPK14
SCHEMBL21397052 0.89 KDM4E (0.35) HIF1ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL21929600 0.84 PDE4B (0.39) LRRK2HIF1ASLC22A12SMN1; SMN2PDE4B
SCHEMBL21397150 0.83 SMN1; SMN2 (0.36) LRRK2HIF1ASLC22A12SMN1; SMN2PDE4B
SCHEMBL21397012 0.83 CNR2 (0.36) LRRK2HIF1ASMN1; SMN2IMPDH2RPS6KB1
SCHEMBL19755216 0.83 IMPDH2 (0.38) HIF1ASMN1; SMN2IMPDH2RPS6KB1ROCK1
SCHEMBL21397015 0.82 LRRK2 (0.35) LRRK2SLC22A12SMN1; SMN2IMPDH2ELANE
SCHEMBL21927558 0.82 PDE4B (0.38) LRRK2SLC22A12SMN1; SMN2PDE4BIMPDH2
SCHEMBL19062207 0.81 IMPDH2 (0.43) SMN1; SMN2IMPDH2ALDH1A1MAPTKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3543230-B1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO LTD (KR) 2021-05-05 EP disclosed
US-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE 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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLCO4C1, SLC18A1 LRRK2 1375/4885HIF1A 3513/4885SLC22A12 224/4885

“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.