SCHEMBL21249889

SCHEMBL21249889

CC(C)OC(=O)N1C[C@H](C)N(CC2CC2)c2ccc(-c3cnn(CCn4ccnc4)c3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 5/20 0.40
▸ FGFR1 P11362 1/20 0.33
▸ TBK1 Q9UHD2 2/20 0.32
▸ IDH1 O75874 3/20 0.32
▸ CD274 Q9NZQ7 1/20 0.32
▸ FLT3 P36888 2/20 0.32
▸ SYK P43405 2/20 0.32
▸ AURKB Q96GD4 2/20 0.32
▸ NAMPT P43490 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ 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
▸ LIPC P11150 1/20 0.31

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
SCHEMBL17018240 0.87 BRD4 (0.49) BRD4IDH1CD274NAMPTCYP3A4
SCHEMBL17018226 0.87 BRD4 (0.55) BRD4NAMPTCYP3A4CYP2D6CYP2C9
SCHEMBL17018246 0.86 BRD4 (0.46) BRD4TBK1IDH1CD274NAMPT
SCHEMBL23734005 0.85 LIPC (0.42) BRD4FGFR1TBK1CYP3A4PIK3CA
SCHEMBL17018102 0.78 BRD4 (0.61) BRD4FGFR1PIK3CDPIK3CAPIK3CB
SCHEMBL17018120 0.77 BRD4 (0.51) BRD4FGFR1TBK1NAMPTPIK3CD
SCHEMBL17018110 0.77 BRD4 (0.55) BRD4FGFR1TBK1IDH1PIK3CD
SCHEMBL16721125 0.77 BRD4 (0.44) BRD4IDH1NAMPT
SCHEMBL16721934 0.76 BRD4 (0.49) BRD4IDH1NAMPT
SCHEMBL21674534 0.76 BRD4 (0.48) BRD4TBK1IDH1SYKNAMPT

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-11084831-B1 Benzopiperazine compositions as BET bromodomain inhibitors FORMA THERAPEUTICS, INC. (US) 2021-08-10 — — US disclosed
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 (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-11084831-B1 Benzopiperazine compositions as BET bromodomain inhibitors BRD4, BRPF3, BRD7 BRD4 1/4885FGFR1 1710/4885TBK1 596/4885
US-10377769-B2 Benzopiperazine compositions as BET bromodomain inhibitors BRD4, BRPF3, BRD7 BRD4 1/4885FGFR1 1710/4885TBK1 596/4885

“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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