SCHEMBL21775970

SCHEMBL21775970

CCc1cnn(-c2cccc(N3CCOCC3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.48
DRD2 P14416 4/20 0.48
DRD3 P35462 4/20 0.48
AGXT P21549 1/20 0.46
ALKBH1 Q13686 1/20 0.44
DHFR P00374 1/20 0.43
HTR2C P28335 3/20 0.43
KMO O15229 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PLOD2 O00469 2/20 0.41
PLOD3 O60568 2/20 0.41
PLOD1 Q02809 2/20 0.41
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39

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
SCHEMBL20273893 0.80 DHFR (0.52) AGXTALKBH1DHFRKMOLMNA
SCHEMBL22466056 0.80 DHFR (0.49) DRD4DRD2DRD3AGXTALKBH1
SCHEMBL20273944 0.79 IRAK4 (0.47) AGXTALKBH1DHFRKMOLMNA
SCHEMBL22725096 0.79 DHFR (0.43) AGXTALKBH1DHFRKMOLMNA
SCHEMBL4507051 0.78 AGXT (0.65) DRD4AGXTKMOLMNASMN1; SMN2
SCHEMBL13661992 0.75 NOTUM (0.46) DRD4DRD2DRD3HTR2CLMNA
SCHEMBL27329825 0.74 LMNA (0.71) AGXTDHFRKMOLMNASMN1; SMN2
SCHEMBL9608917 0.73 DRD4 (0.55) DRD4DRD2DRD3HTR2CLMNA
SCHEMBL26028861 0.72 EPHX2 (0.47) DRD4DRD2DRD3LMNASMN1; SMN2
SCHEMBL14961830 0.72 HTT (0.56) DRD4DRD2DRD3AGXTDHFR

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-10988482-B2 IRAK4 inhibitor and use thereof Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2021-04-27 US disclosed
US-20200062775-A1 IRAK4 INHIBITOR AND USE THEREOF Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2020-02-27 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-10988482-B2 IRAK4 inhibitor and use thereof IRAK4, IRAK1, IRAK2 DRD4 4483/4885DRD2 4827/4885DRD3 4814/4885
US-20200062775-A1 IRAK4 INHIBITOR AND USE THEREOF IRAK4, IRAK1, IRAK2 DRD4 4483/4885DRD2 4827/4885DRD3 4814/4885

“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.