SCHEMBL25950796

SCHEMBL25950796

CNC(=O)c1ccc(OC)c(C(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.53
RARB P10826 2/20 0.53
RARG P13631 2/20 0.53
PLK1 P53350 2/20 0.50
WDR5 P61964 1/20 0.50
NR1H4 Q96RI1 2/20 0.48
EPHX2 P34913 1/20 0.48
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALOX12 P18054 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46

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
SCHEMBL13580696 0.86 SIRT1 (0.50) PLK1EPHX2MAPTALDH1A1CYP1A2
SCHEMBL5027170 0.83 MAPT (0.58) RARARARBRARGWDR5MAPT
SCHEMBL8606767 0.83 RARA (0.50) RARARARBRARGWDR5NR1H4
Hydrochloric Acid SCHEMBL8506812 0.83 RARA (0.47) RARARARBRARGWDR5NR1H4
SCHEMBL20206569 0.82 NR1H4 (0.53) RARARARBRARGWDR5NR1H4
SCHEMBL2773345 0.81 RARA (0.61) RARARARBRARGWDR5ALDH1A1
SCHEMBL1421835 0.81 RARA (0.73) RARARARBRARGWDR5NR1H4
SCHEMBL31325762 0.81 RARA (0.73) RARARARBRARGWDR5NR1H4
SCHEMBL21968466 0.81 HDAC8 (0.52) PLK1NR1H4EPHX2MEN1KMT2A
SCHEMBL4151619 0.81 CYP1A2 (0.66) PLK1NR1H4MAPTALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 US disclosed
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 US disclosed
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-10 US disclosed
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-10 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-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B RARA 4873/4885RARB 4854/4885RARG 4850/4885
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B RARA 4873/4885RARB 4854/4885RARG 4850/4885

“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.