SCHEMBL22955952

SCHEMBL22955952

CC(C)c1ccc2ncc(-c3nnn[nH]3)n2c1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.31
EIF2AK4 Q9P2K8 2/20 0.31
TGFBR1 P36897 2/20 0.31
JAK2 O60674 2/20 0.30
JAK3 P52333 2/20 0.30
JAK1 P23458 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
SCHEMBL21083338 0.82 CYP1A2 (0.42) TGFBR1
SCHEMBL22955470 0.81 EIF2AK4 (0.36) EIF2AK4TGFBR1
SCHEMBL8607829 0.80 TGFBR1 (0.37) TGFBR1
SCHEMBL8608885 0.80 EIF2AK4 (0.33) RXRAEIF2AK4
SCHEMBL8608539 0.79 EIF2AK4 (0.31) EIF2AK4
SCHEMBL8609368 0.75 KDM4E (0.41) RXRA
SCHEMBL8606054 0.74 PRMT5 (0.32)
SCHEMBL8607789 0.74
SCHEMBL9753498 0.73
SCHEMBL19737585 0.72 EIF2AK4 (0.39) RXRAEIF2AK4TGFBR1JAK2JAK3

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-20210032242-A1 AROMATIC HETEROCYCLIC SUBSTITUTED OLEFIN COMPOUND, PREPARATION METHOD FOR SAME, PHARMACEUTICAL COMPOSITION OF SAME, AND APPLICATIONS THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2021-02-04 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-20210032242-A1 AROMATIC HETEROCYCLIC SUBSTITUTED OLEFIN COMPOUND, PREPARATION METHOD FOR SAME, PHARMACEUTICAL COMPOSITION OF SAME, AND APPLICATIONS THEREOF ALK, ALKBH5, ALKBH3 RXRA 1849/4885EIF2AK4 3726/4885TGFBR1 599/4885

“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.