SCHEMBL19224565

SCHEMBL19224565

CN1C(=O)C(N)CCn2cc(Br)cc21

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.36
APEX1 P27695 1/20 0.36
DPP4 P27487 3/20 0.33

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
SCHEMBL19224569 0.82
SCHEMBL18367275 0.72 CYP3A4 (0.35) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL18365841 0.71 CYP3A4 (0.37) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL19224566 0.70 BRD4 (0.38) TSHRTDP1
SCHEMBL18366197 0.68 RIPK1 (0.43) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL18366200 0.68 RIPK1 (0.43) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL18366155 0.68 RIPK1 (0.43) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL18365826 0.67 CYP3A4 (0.36) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL18366557 0.67 RIPK1 (0.44) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL22887921 0.67 CYP3A4 (0.36) CYP3A4TSHRTDP1MAPTAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099981-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-04-12 US disclosed
US-9896458-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2018-02-20 US disclosed
US-20180022759-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-01-25 US disclosed
US-9815850-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2017-11-14 US disclosed
US-9815850-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2017-11-14 US disclosed
WO-2017136727-A2 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2017-08-10 WO disclosed
US-20170226127-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2017-08-10 US disclosed
US-20170226127-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2017-08-10 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 (3 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-20180099981-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB CYP3A4 3161/4885TSHR 4584/4885TDP1 705/4885
US-20180022759-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB CYP3A4 3161/4885TSHR 4584/4885TDP1 705/4885
US-20170226127-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB CYP3A4 3161/4885TSHR 4584/4885TDP1 705/4885

“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.