SCHEMBL22989019

SCHEMBL22989019

c1ccc2c(c1)oc1c(-c3nc(-c4ccc(-n5c6ccc7cccc8oc9cccc%10ccc5c(c%109)c6c78)c5ccccc45)nc4c3oc3ccccc34)cccc12

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.34
PRKDC P78527 2/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
TSHR P16473 2/20 0.31
PIM1 P11309 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
HRH4 Q9H3N8 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
SCHEMBL22989077 0.92 ALOX5 (0.31) ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL22989138 0.90 TSHR (0.32) TSHRPIM1CSNK2A2CSNK2BPIM3
SCHEMBL22989238 0.90 TSHR (0.38) TSHRKMT2AKDM4EMEN1ALDH1A1
SCHEMBL22989028 0.89 PRKDC (0.35) ALOX5PRKDCTSHRKMT2AKDM4E
SCHEMBL22989014 0.89 TSHR (0.37) TSHRKMT2AKDM4EMEN1ALDH1A1
SCHEMBL22988982 0.88 TSHR (0.38) TSHRKMT2AKDM4EMEN1ALDH1A1
SCHEMBL22989003 0.87 MAPT (0.31) TSHRALDH1A1MAPT
SCHEMBL22989018 0.87 TSHR (0.36) TSHRKMT2AKDM4EMEN1ALDH1A1
SCHEMBL22989002 0.87 PRKDC (0.33) ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL22988909 0.84 ALOX5 (0.35) ALOX5PRKDCPIK3CDPIK3CBTSHR

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
WO-2021029757-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-02-18 WO disclosed
US-20160340361-A1 PIPERIDINE INHIBITORS OF JANUS KINASE 3 AUSPEX PHARMACEUTICALS, INC. 2016-11-24 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-20160340361-A1 PIPERIDINE INHIBITORS OF JANUS KINASE 3 JAK2, JAK3, PAK3 ALOX5 1566/4885PRKDC 8/4885PIK3CD 77/4885

“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.