SCHEMBL25952613

SCHEMBL25952613

CCOC(=O)c1cc(Cl)cc(C(C)(C)C)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP4F2 P78329 1/20 0.42
▸ CYP4A11 Q02928 1/20 0.42
▸ BAZ2B Q9UIF8 1/20 0.42
▸ BAZ2A Q9UIF9 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ CA1 P00915 4/20 0.42
▸ CA2 P00918 4/20 0.42
▸ CA12 O43570 3/20 0.42
▸ CA9 Q16790 3/20 0.42
▸ CA7 P43166 2/20 0.41
▸ CA14 Q9ULX7 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ MAPT P10636 2/20 0.40

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
SCHEMBL25234783 0.79 CA1 (0.51) MAPK1TSHRCYP4F2CYP4A11BAZ2B
SCHEMBL29682930 0.78 CYP3A4 (0.56) MAPK1TSHRCYP4F2CYP4A11BAZ2B
SCHEMBL8373456 0.78 CYP3A4 (0.56) MAPK1TSHRCYP4F2CYP4A11BAZ2B
SCHEMBL21046732 0.77 CA1 (0.47) MAPK1TSHRCYP4F2CYP4A11BAZ2B
SCHEMBL25952739 0.76 CYP3A4 (0.53) MAPK1TSHRCA1CA2ALDH1A1
SCHEMBL25950800 0.76 NR1H4 (0.36) MAPK1MAOBCA12CA9ALDH1A1
SCHEMBL25950783 0.76 TSHR (0.43) MAPK1TSHRALDH1A1KDM4EGAA
SCHEMBL12073595 0.76 RAB9A (0.47) MAPK1MAOBALDH1A1KDM4EGAA
SCHEMBL4627806 0.73 TSHR (0.48) MAPK1TSHRCYP4F2CYP4A11BAZ2B
SCHEMBL9988172 0.73 ALDH1A1 (0.52) ALDH1A1KDM4EGAAHPGDMAPT

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 MAPK1 2324/4885TSHR 4759/4885CYP4F2 99/4885
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B MAPK1 2324/4885TSHR 4759/4885CYP4F2 99/4885

“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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