SCHEMBL25950686

SCHEMBL25950686

Cn1cc2c(C(C)(C)C)cncc2n1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ MET P08581 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ NSD2 O96028 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
SCHEMBL16418634 0.74 CA2 (0.38) ALDH1A1MAPTPOLBKDM4ENSD2
SCHEMBL27192110 0.73 ALDH1A1 (0.39) ALDH1A1MAPTPOLBKDM4ENSD2
SCHEMBL26352926 0.73 ALDH1A1 (0.34) ALDH1A1MAPTPOLBKDM4ENSD2
SCHEMBL29303159 0.70 ALDH1A1 (0.33) ALDH1A1MAPTPOLBKDM4ENSD2
SCHEMBL27035863 0.70 ALDH1A1 (0.33) ALDH1A1MAPTPOLBKDM4ENSD2
SCHEMBL23514455 0.70 JAK2 (0.31) ALDH1A1MAPTKDM4ENSD2
SCHEMBL15870925 0.68 ALDH1A1 (0.31) ALDH1A1MAPTPOLB
SCHEMBL24858186 0.68 MET (0.35) ALDH1A1MAPTMETKDM4ENSD2
SCHEMBL29304911 0.68 ALDH1A1 (0.31) ALDH1A1MAPTPOLB
SCHEMBL21672135 0.64 — —

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 2 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-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 ALDH1A1 2504/4885MAPT 4473/4885POLB 2508/4885
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B ALDH1A1 2504/4885MAPT 4473/4885POLB 2508/4885

“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.

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