SCHEMBL21398871

SCHEMBL21398871

c1ccc(-c2ccc(N(c3ccc4sc5cccc(N(c6ccccc6)c6ccccc6)c5c4c3)c3cccc4sc5ccccc5c34)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.33
APP P05067 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
DUSP3 P51452 1/20 0.32
BLM P54132 1/20 0.32
PTPN5 P54829 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPN11 Q06124 1/20 0.32
MCL1 Q07820 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
LIMK1 P53667 1/20 0.30
CHEK1 O14757 1/20 0.30
WEE1 P30291 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL24883205 0.96 APP (0.35) GPR3APPMAPTTDP1LIMK1
SCHEMBL21398835 0.95 GPR3 (0.35) GPR3APPMAPTDUSP3
SCHEMBL19656441 0.95 GPR3 (0.35) GPR3APPMAPTDUSP3
SCHEMBL24883008 0.95 GPR3 (0.35) GPR3APPMEN1POLBMAPT
SCHEMBL24472632 0.93 GPR3 (0.34) GPR3APPMEN1POLBMAPT
SCHEMBL24472044 0.93 GPR3 (0.34) GPR3APPMEN1POLBMAPT
SCHEMBL24472033 0.93 GPR3 (0.34) GPR3APPMEN1POLBMAPT
SCHEMBL21966635 0.93 ALDH1A1 (0.35) GPR3APPMAPTLIMK1
SCHEMBL21966375 0.93 ALDH1A1 (0.35) GPR3APPMAPTLIMK1
SCHEMBL21966381 0.93 ALDH1A1 (0.35) GPR3APPMAPTLIMK1

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-20190296244-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME AND ELECTRONIC DEVICE THEREFOR DUK SAN NEOLUX 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-20190296244-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME AND ELECTRONIC DEVICE THEREFOR OR51E2, WEE2, WEE1 GPR3 4719/4885APP 1338/4885MEN1 519/4885

“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.