SCHEMBL19958480

SCHEMBL19958480

CC#CC(=O)N1CCC(C(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.40
GPX4 P36969 1/20 0.36
BTK Q06187 7/20 0.35
DPP4 P27487 5/20 0.33
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
DPP7 Q9UHL4 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
FGFR1 P11362 1/20 0.32
FGFR4 P22455 1/20 0.32
TEC P42680 1/20 0.31
EPHX2 P34913 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
SCHEMBL410338 0.90 BTK (0.39) PDE4BGPX4BTKALDH1A1
SCHEMBL20892965 0.90 BTK (0.39) PDE4BGPX4BTKALDH1A1
SCHEMBL18431410 0.90 BTK (0.39) PDE4BGPX4BTKALDH1A1
SCHEMBL20144240 0.89 GPX4 (0.41) PDE4BGPX4BTKDPP4MEN1
SCHEMBL20892948 0.81 MEN1 (0.36) GPX4BTKDPP4DPP8DPP9
SCHEMBL20892803 0.81 MEN1 (0.36) GPX4BTKDPP4DPP8DPP9
SCHEMBL20892966 0.80 BTK (0.38) PDE4BBTKDPP4DPP8DPP9
SCHEMBL19353399 0.77 ALDH1A1 (0.43) PDE4BGPX4BTKDPP4DPP8
SCHEMBL20892899 0.77 ALDH1A1 (0.43) PDE4BGPX4BTKDPP4DPP8
SCHEMBL19353422 0.76 BTK (0.42) PDE4BGPX4BTKDPP8DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018002-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC (US) 2024-06-25 US disclosed
US-20230043970-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC 2023-02-09 US disclosed
US-10870652-B2 Compounds and methods for modulating bruton's tyrosine kinase CORVUS PHARMACEUTICALS, INC. (US) 2020-12-22 US disclosed
US-10544106-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2020-01-28 US disclosed
US-20190106423-A1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE CORVUS BIOPHARMACEUTICALS, LTD. (KY) 2019-04-11 US disclosed
US-20180072688-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2018-03-15 US disclosed
US-20180072688-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2018-03-15 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 (6 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-20230043970-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 PDE4B 582/4885GPX4 4222/4885BTK 172/4885
US-10544106-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 PDE4B 582/4885GPX4 4222/4885BTK 172/4885
US-20190106423-A1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE ABL1, BTK, LYN PDE4B 993/4885GPX4 3181/4885BTK 2/4885
US-12018002-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 PDE4B 582/4885GPX4 4222/4885BTK 172/4885
US-20180072688-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 PDE4B 582/4885GPX4 4222/4885BTK 172/4885
US-10870652-B2 Compounds and methods for modulating bruton's tyrosine kinase ABL1, BTK, LYN PDE4B 993/4885GPX4 3181/4885BTK 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.