SCHEMBL20144240

SCHEMBL20144240

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPX4 P36969 1/20 0.41
PDE4B Q07343 1/20 0.36
BTK Q06187 6/20 0.35
KMT2A Q03164 4/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 1/20 0.34
EPHX2 P34913 4/20 0.33
CPN1 P15169 1/20 0.32
CPB2 Q96IY4 1/20 0.32
DPP4 P27487 2/20 0.31

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
SCHEMBL19958480 0.89 PDE4B (0.40) GPX4PDE4BBTKKMT2AMEN1
SCHEMBL410338 0.80 BTK (0.39) GPX4PDE4BBTKALDH1A1CPN1
SCHEMBL20892965 0.80 BTK (0.39) GPX4PDE4BBTKALDH1A1CPN1
SCHEMBL18431410 0.80 BTK (0.39) GPX4PDE4BBTKALDH1A1CPN1
SCHEMBL26073819 0.79 MEN1 (0.38) GPX4BTKKMT2AMEN1ALDH1A1
SCHEMBL16907738 0.79 ALDH1A1 (0.47) GPX4PDE4BBTKKMT2ANPC1
SCHEMBL17481251 0.78 BTK (0.38) GPX4BTKKMT2AMEN1
SCHEMBL17616668 0.78 BTK (0.40) GPX4PDE4BBTKKMT2ANPC1
SCHEMBL19999883 0.78
SCHEMBL12840905 0.77 GPX4 (0.40) GPX4PDE4BBTKKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10870652-B2 Compounds and methods for modulating bruton's tyrosine kinase CORVUS PHARMACEUTICALS, INC. (US) 2020-12-22 US disclosed
US-20200148690-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINES AS BRUTON'S TYROSINE KINASE MODULATORS BEONE MEDICINES I GMBH (CH) 2020-05-14 US disclosed
US-20190106423-A1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE CORVUS BIOPHARMACEUTICALS, LTD. (KY) 2019-04-11 US disclosed
US-20180169094-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS MERCK PATENT GMBH (DE) 2018-06-21 US disclosed
EP-2970300-B1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-05-16 EP 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 (4 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-20190106423-A1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE ABL1, BTK, LYN GPX4 3181/4885PDE4B 993/4885BTK 2/4885
US-20180169094-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS IRAK2, IRAK3, IRAK1 GPX4 4270/4885PDE4B 1239/4885BTK 16/4885
US-20200148690-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINES AS BRUTON'S TYROSINE KINASE MODULATORS BTK, LCK, SYK GPX4 3591/4885PDE4B 674/4885BTK 1/4885
US-10870652-B2 Compounds and methods for modulating bruton's tyrosine kinase ABL1, BTK, LYN GPX4 3181/4885PDE4B 993/4885BTK 2/4885

“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.