SCHEMBL21249972

SCHEMBL21249972

COC(O)N1c2ccc(-c3cnn(C[C@@H]4CCNC4)c3)cc2N(C(=O)OC(C)C)C[C@@H]1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 7/20 0.41
▸ GSK3B P49841 2/20 0.37
▸ DYRK1A Q13627 2/20 0.37
▸ IDH1 O75874 2/20 0.33
▸ MET P08581 1/20 0.32
▸ CREBBP Q92793 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PI4KA P42356 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.31
▸ TBK1 Q9UHD2 3/20 0.31
▸ KHK P50053 1/20 0.31
▸ KDM1A O60341 1/20 0.30
▸ PIM1 P11309 1/20 0.30
▸ WNT1 P04628 1/20 0.30
▸ FLT3 P36888 1/20 0.30
▸ SYK P43405 1/20 0.30
▸ AURKB Q96GD4 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
SCHEMBL17018279 0.89 BRD4 (0.55) BRD4GSK3BDYRK1AMETCREBBP
SCHEMBL17018278 0.89 BRD4 (0.55) BRD4GSK3BDYRK1AMETCREBBP
SCHEMBL17018282 0.88 BRD4 (0.46) BRD4GSK3BDYRK1ACREBBP
SCHEMBL17018283 0.88 BRD4 (0.46) BRD4GSK3BDYRK1ACREBBP
SCHEMBL17018281 0.86 BRD4 (0.50) BRD4GSK3BDYRK1AIDH1MET
SCHEMBL17018280 0.86 BRD4 (0.50) BRD4GSK3BDYRK1AIDH1MET
SCHEMBL21249959 0.83 BRD4 (0.47) BRD4GSK3BDYRK1ACREBBPTBK1
SCHEMBL23734020 0.81 BRD4 (0.49) BRD4GSK3BDYRK1AIDH1PIK3CD
SCHEMBL17018102 0.79 BRD4 (0.61) BRD4CREBBPPIK3CDPIK3CAPIK3CB
SCHEMBL17018120 0.79 BRD4 (0.51) BRD4GSK3BDYRK1ACREBBPPIK3CD

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-10377769-B2 Benzopiperazine compositions as BET bromodomain inhibitors FORMA THERAPEUTICS, INC. (US) 2019-08-13 — — 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-10377769-B2 Benzopiperazine compositions as BET bromodomain inhibitors BRD4, BRPF3, BRD7 BRD4 1/4885GSK3B 1719/4885DYRK1A 2181/4885

“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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