SCHEMBL17616668

SCHEMBL17616668

CC#CC(=O)N1CCC(CC)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.40
EPHX2 P34913 1/20 0.40
GPX4 P36969 1/20 0.38
KMT2A Q03164 3/20 0.36
PDE4B Q07343 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 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
SCHEMBL19353418 0.89 BTK (0.42) BTKEPHX2GPX4KMT2APDE4B
SCHEMBL19353422 0.89 BTK (0.42) BTKEPHX2GPX4KMT2APDE4B
SCHEMBL19353417 0.89 BTK (0.42) BTKEPHX2GPX4KMT2APDE4B
SCHEMBL19352909 0.86 GNAI3 (0.40) BTKGPX4KMT2APDE4BMEN1
SCHEMBL20892778 0.80 BTK (0.41) BTKGPX4KMT2APDE4BMEN1
SCHEMBL24244433 0.80 BTK (0.41) BTKEPHX2KMT2APDE4BMEN1
SCHEMBL20371370 0.80 BTK (0.41) BTKEPHX2KMT2APDE4BMEN1
SCHEMBL16907738 0.79 ALDH1A1 (0.47) BTKGPX4KMT2APDE4BMEN1
SCHEMBL20144240 0.78 GPX4 (0.41) BTKEPHX2GPX4KMT2APDE4B
SCHEMBL12840905 0.77 GPX4 (0.40) BTKGPX4KMT2APDE4BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426637-B1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE ANGEL PHARMACEUTICAL CO LTD (CN) 2022-02-09 EP disclosed
US-10005782-B2 Substituted pyrazolo[1,5-a]pyrimidines as bruton's tyrosine kinase modulators BEIGENE, LTD. (KY) 2018-06-26 US disclosed
US-20160083392-A1 Fused heterocyclic compounds as protein kinase inhibitors BEIGENE, LTD. (KY) 2016-03-24 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-10005782-B2 Substituted pyrazolo[1,5-a]pyrimidines as bruton's tyrosine kinase modulators BTK, LCK, SYK BTK 1/4885EPHX2 2768/4885GPX4 3591/4885
US-20160083392-A1 Fused heterocyclic compounds as protein kinase inhibitors BTK, WEE1, LYN BTK 1/4885EPHX2 2437/4885GPX4 4611/4885

“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.