SCHEMBL25950609

SCHEMBL25950609

CC1(Nc2ncc(C(C)(C)C)cn2)CCCC1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.53
HDAC1 Q13547 3/20 0.53
HDAC2 Q92769 3/20 0.53
HDAC6 Q9UBN7 3/20 0.53

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
SCHEMBL25950587 0.93 HDAC1 (0.44) HDAC3HDAC1HDAC2HDAC6
SCHEMBL25950615 0.81 HDAC3 (0.38) HDAC3HDAC1HDAC2HDAC6
SCHEMBL25950579 0.72 NNMT (0.40) HDAC3HDAC1HDAC2HDAC6
SCHEMBL25950511 0.71 GAA (0.37) HDAC3HDAC1HDAC2HDAC6
SCHEMBL25950661 0.70 IL1B (0.36) HDAC3HDAC1HDAC2HDAC6
SCHEMBL4730145 0.69 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6
SCHEMBL22877229 0.68 HCRTR1 (0.43)
SCHEMBL10202037 0.68 GRM5 (0.41)
SCHEMBL25950634 0.67 IL1B (0.34)
SCHEMBL25734952 0.66 SMN1; SMN2 (0.38) HDAC3HDAC1HDAC2HDAC6

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 HDAC3 2216/4885HDAC1 1790/4885HDAC2 591/4885
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B HDAC3 2216/4885HDAC1 1790/4885HDAC2 591/4885

“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.