SCHEMBL17211630

SCHEMBL17211630

Cc1cnc2c(c1)c(-c1c(C)c(C)c(C)c(C)c1C)cn2C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
CRHR1 P34998 5/20 0.33
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32
GSK3B P49841 1/20 0.32
PDK1 Q15118 2/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
DYRK1A Q13627 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
SCHEMBL17211631 0.85 BRD4 (0.47) BRD4GSK3BPDK1HSP90AA1HSP90AB1
SCHEMBL4403649 0.77 NOS3 (0.38) BRD4CCR1CCR5CCR8
SCHEMBL4403657 0.76 BRD4 (0.49) BRD4
SCHEMBL8488240 0.74 CHUK (0.48)
SCHEMBL17211632 0.74 BRD4 (0.55) BRD4CCR1CCR5CCR8
SCHEMBL31370721 0.74 BRD4 (0.35) BRD4CCR1CCR5CCR8GSK3B
SCHEMBL18359212 0.74 LRRK2 (0.38) BRD4CCR1CCR5CCR8
SCHEMBL19221990 0.74 CHRNA7 (0.41) BRD4CCR1CCR5CCR8
SCHEMBL15344926 0.73 ELANE (0.50) GSK3BDYRK1A
SCHEMBL15345072 0.72 SLC6A4 (0.46)

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-9447093-B2 3,5-diarylazaindoles as DYRK1A protein inhibitors for the treatment of cognitive deficiencies associated with Down's syndrome and with Alzheimer's disease CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-09-20 US disclosed
US-20150307492-A1 3,5-Diarylazaindoles as DYRK1A Protein Inhibitors for the Treatment of Cognitive Deficiencies Associated with Down's Syndrome and with Alzheimer's Disease CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-10-29 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-20150307492-A1 3,5-Diarylazaindoles as DYRK1A Protein Inhibitors for the Treatment of Cognitive Deficiencies Associated with Down's Syndrome and with Alzheimer's Disease DYRK1A, DYRK3, DYRK2 BRD4 213/4885CRHR1 330/4885CCR1 3511/4885

“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.