SCHEMBL21919487

SCHEMBL21919487

FC1(CN2CCNCC2)CCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 6/20 0.36
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A2 P23975 3/20 0.33
MEN1 O00255 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
ADRA2C P18825 1/20 0.32
CCR2 P41597 1/20 0.32
CXCL12 P48061 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
RAD52 P43351 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
KDM1A O60341 1/20 0.31
PDE4A P27815 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
Hydrochloric Acid SCHEMBL20594525 0.98 CXCR4 (0.35) CXCR4POLBSMN1; SMN2SLC6A2MEN1
SCHEMBL25133827 0.80 TSHR (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL25133319 0.76 SIGMAR1 (0.33) SIGMAR1
SCHEMBL27349654 0.75 TSHR (0.46) SMN1; SMN2MEN1KMT2AKDM1A
SCHEMBL27097467 0.75 SLC6A2 (0.37) SLC6A2MEN1ADRA2CKMT2AHRH3
SCHEMBL25134133 0.74 SIGMAR1 (0.32) SIGMAR1
SCHEMBL23439643 0.74 LMNA (0.33) SLC6A2HRH3
SCHEMBL28223410 0.74 GPR119 (0.34) CXCR4POLBSMN1; SMN2SLC6A2MEN1
SCHEMBL17693024 0.74 KDM4E (0.38) SMN1; SMN2SLC6A2MEN1KMT2AHRH3
SCHEMBL25595922 0.74 SLC6A2 (0.32) SLC6A2

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
US-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-06-15 US disclosed
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2020-04-23 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 (2 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-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 CXCR4 547/4885POLB 2043/4885SMN1; SMN2 2964/4885
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 CXCR4 547/4885POLB 2043/4885SMN1; SMN2 2964/4885

“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.