SCHEMBL25608117

SCHEMBL25608117

CC(=O)NCCC1(I)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.40
PAOX Q6QHF9 3/20 0.38
ADRA1A P35348 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 2/20 0.33
F13A1 P00488 1/20 0.33
MEN1 O00255 1/20 0.33
MTNR1A P48039 4/20 0.32
MTNR1B P49286 4/20 0.32
NQO2 P16083 1/20 0.32
EPHX2 P34913 2/20 0.32

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
SCHEMBL22434968 0.76 KDM4E (0.46) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL22482075 0.76 KDM4E (0.46) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL21015807 0.71 KDM4E (0.41) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL18629003 0.71 KDM4E (0.41) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL24618588 0.69 KDM4E (0.40) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL8338683 0.69 MEN1 (0.67) TSHRALDH1A1KMT2AMEN1EPHX2
SCHEMBL8107 0.69 KDM4E (0.71) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL22482084 0.68 KDM4E (0.54) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL149184 0.68
SCHEMBL20925353 0.67 CYP4F2 (0.51) KDM4EMAPK1HIF1ATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST Bugworks Research, Inc. 2023-06-01 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-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST ADORA2A, ADORA2B, ADORA1 KDM4E 4427/4885MAPK1 1487/4885HIF1A 2771/4885

“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.