SCHEMBL22396602

SCHEMBL22396602

N#Cc1cc2ccnc(Cl)c2cc1OCCOCCCl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.37
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
PDE10A Q9Y233 2/20 0.34
AR P10275 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
SRC P12931 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NCF1 P14598 3/20 0.31
XDH P47989 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL30480644 1.00 IRAK4 (0.37) IRAK4PDE3BPDE3APDE10AAR
SCHEMBL17137076 0.92 IRAK4 (0.41) IRAK4NCOA3SRCXDHALDH1A1
SCHEMBL17137481 0.85 SRC (0.43) IRAK4ARSRC
SCHEMBL22396538 0.84 HPGD (0.37) IRAK4PDE3BPDE3APDE10AKDM4E
SCHEMBL30480647 0.84 HPGD (0.37) IRAK4PDE3BPDE3APDE10AKDM4E
SCHEMBL17151233 0.84 XDH (0.40) IRAK4ARNCOA3XDH
SCHEMBL17137611 0.81 TDP1 (0.42) IRAK4PDE3AARSRCKDM4E
SCHEMBL22396610 0.79 AAK1 (0.40) IRAK4PDE3BPDE3APDE10AXDH
SCHEMBL17137087 0.79 IRAK4 (0.39) IRAK4NCOA3SRCXDHLMNA
SCHEMBL18553944 0.78 IRAK4 (0.37) IRAK4PDE10ANCOA3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111542516-B IRAK4 inhibitors and uses thereof 新标立亚医疗有限公司 2023-07-18 CN disclosed
US-20200385370-A1 APPARATUS FOR REMOVING BAD ODOR FROM TOILET SYNBLIA THERAPEUTICS, INC. 2020-12-10 US disclosed
US-20200385370-A1 APPARATUS FOR REMOVING BAD ODOR FROM TOILET SYNBLIA THERAPEUTICS, INC. 2020-12-10 US disclosed
EP-3704104-A1 IRAK4 INHIBITORS AND USES THEREOF Synblia Therapeutics, Inc. (US) 2020-09-09 EP disclosed
CN-111542516-A IRAK4 inhibitors and uses thereof 新标立亚医疗有限公司 2020-08-14 CN 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-20200385370-A1 APPARATUS FOR REMOVING BAD ODOR FROM TOILET IRAK4, IRAK1, IRAK2 IRAK4 1/4885PDE3B 1021/4885PDE3A 1264/4885

“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.