SCHEMBL31577947

SCHEMBL31577947

CN(c1ccc(CN2CCNCC2)cc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.51
CXCR4 P61073 8/20 0.46
MEN1 O00255 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
ADRA2C P18825 1/20 0.44
CCR2 P41597 1/20 0.44
CXCL12 P48061 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
MLNR O43193 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL5309735 0.76 ALDH1A1 (0.69) SIGMAR1CXCR4MEN1CHRM2CHRM1
SCHEMBL8727685 0.72 ALDH1A1 (0.45) MEN1KMT2ATDP1ALDH1A1
SCHEMBL245919 0.70 CXCR4 (0.81) SIGMAR1CXCR4MEN1CHRM2CHRM1
SCHEMBL31577784 0.70 TAAR1 (0.46) SIGMAR1MEN1KMT2AALDH1A1
SCHEMBL152631 0.70 SIGMAR1 (1.00) SIGMAR1CXCR4MEN1CHRM2CHRM1
Benzene SCHEMBL27761330 0.70 SIGMAR1 (1.00) SIGMAR1CXCR4MEN1CHRM2CHRM1
SCHEMBL6138636 0.70 SIGMAR1 (1.00) SIGMAR1CXCR4MEN1CHRM2CHRM1
SCHEMBL83548 0.70 SIGMAR1 (1.00) SIGMAR1CXCR4MEN1CHRM2CHRM1
SCHEMBL276363 0.70 SIGMAR1 (1.00) SIGMAR1CXCR4MEN1CHRM2CHRM1
Hydrochloric Acid SCHEMBL5573232 0.70 CXCR4 (0.78) SIGMAR1CXCR4MEN1CHRM2CHRM1

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-20250163042-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2025-05-22 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-20250163042-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 SIGMAR1 3199/4885CXCR4 2507/4885MEN1 4055/4885

“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.