SCHEMBL16065264

SCHEMBL16065264

CC(C)(C)OC(=O)NCCCCCCCCCn1cc(Br)cn1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.49
▸ DRD2 P14416 7/20 0.47
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ CA12 O43570 3/20 0.41
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ CA9 Q16790 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ STK17B O94768 1/20 0.41
▸ STK17A Q9UEE5 1/20 0.41
▸ FPR3 P25089 1/20 0.41
▸ FPR2 P25090 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
SCHEMBL17407009 1.00 TDP1 (0.49) TDP1DRD2MAOAMAOBCYP3A4
SCHEMBL30293315 1.00 TDP1 (0.49) TDP1DRD2MAOAMAOBCYP3A4
SCHEMBL30271521 0.99 TDP1 (0.47) TDP1DRD2MAOAMAOBCYP3A4
SCHEMBL19027486 0.95 DRD2 (0.45) TDP1DRD2MAOAMAOBCYP3A4
SCHEMBL24613337 0.90 KMT2A (0.43) TDP1DRD2ALDH1A1STK17BSTK17A
SCHEMBL25014637 0.85 TDP1 (0.49) TDP1DRD2MAOAMAOBCYP3A4
SCHEMBL24289268 0.85 TDP1 (0.49) TDP1DRD2MAOAMAOBCYP3A4
SCHEMBL29800785 0.84 TDP1 (0.47) TDP1DRD2MAOAMAOBCYP3A4
SCHEMBL16245563 0.84 TDP1 (0.47) TDP1DRD2MAOAMAOBCA12
SCHEMBL27091220 0.83 TDP1 (0.47) TDP1DRD2MAOAMAOBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970334-B1 MACROCYCLIC COMPOUNDS AS IRAK4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES BIOGEN MA INC (US) 2018-05-23 — — EP disclosed
US-9617282-B2 Macrocyclic compounds as IRAK4 inhibitors for the treatment of inflammatory diseases BIOGEN MA INC. (US) 2017-04-11 — — US disclosed
US-9617282-B2 Macrocyclic compounds as IRAK4 inhibitors for the treatment of inflammatory diseases BIOGEN MA INC. (US) 2017-04-11 — — US disclosed
US-20160002265-A1 MACROCYCLIC COMPOUNDS AS IRAK4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES BIOGEN MA INC. (US) 2016-01-07 — — US disclosed
US-20160002265-A1 MACROCYCLIC COMPOUNDS AS IRAK4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES BIOGEN MA INC. (US) 2016-01-07 — — US disclosed
WO-2014143672-A1 MACROCYCLIC COMPOUNDS AS IRAK4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES BIOGEN IDEC MA INC. (US) 2014-09-18 — — WO 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-20160002265-A1 MACROCYCLIC COMPOUNDS AS IRAK4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES IRAK4, IRAK1, IRAK2 TDP1 3028/4885DRD2 3157/4885MAOA 3933/4885

“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.

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