SCHEMBL31688002

SCHEMBL31688002

COc1cc(-c2cc3[nH]c(=O)n(-c4cncc5cccnc45)c(=O)c3o2)c(Cl)cc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.34
▸ BRD2 P25440 1/20 0.34
▸ BRD3 Q15059 1/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ HAVCR2 Q8TDQ0 1/20 0.33
▸ GRM4 Q14833 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ TSHR P16473 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
SCHEMBL31688011 0.88 HSD17B10 (0.38) BRD4BRD2BRD3HAVCR2ALDH1A1
SCHEMBL27192437 0.83 EGLN3 (0.34) BRD4BRD2BRD3JAK2JAK1
SCHEMBL31688018 0.79 SCN9A (0.32) JAK2JAK1TYK2JAK3GRM4
SCHEMBL27192094 0.73 ALDH1A1 (0.47) BRD4BRD2BRD3GRM4ALDH1A1
SCHEMBL27192415 0.73 ALDH1A1 (0.43) BRD4BRD2BRD3HAVCR2ALDH1A1
SCHEMBL27192383 0.73 ALDH1A1 (0.41) BRD4BRD2BRD3HAVCR2ALDH1A1
SCHEMBL27380409 0.72 HSD17B10 (0.42) BRD4BRD2BRD3HAVCR2ALDH1A1
SCHEMBL31688009 0.72 NPBWR1 (0.36) GRM4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL27191940 0.71 HAVCR2 (0.34) BRD4BRD2BRD3HAVCR2ALDH1A1
SCHEMBL31687997 0.71 CYP1A1 (0.44) ALDH1A1KDM4EHPGDSMN1; SMN2TP53

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-20250296936-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2025-09-25 — — 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-20250296936-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE BRD4 1703/4885BRD2 1344/4885BRD3 2788/4885

“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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