SCHEMBL17018240

SCHEMBL17018240

CC(C)OC(=O)N1C[C@H](C)N(C(=O)C2CC2)c2ccc(-c3cnn(CCn4ccnc4)c3)cc21

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 9/20 0.49
▸ IDH1 O75874 5/20 0.36
▸ CD274 Q9NZQ7 1/20 0.33
▸ RET P07949 1/20 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
▸ CYP26A1 O43174 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
SCHEMBL17018226 0.92 BRD4 (0.55) BRD4RETNAMPTCYP3A4CYP2D6
SCHEMBL17018246 0.92 BRD4 (0.46) BRD4IDH1CD274RETNAMPT
SCHEMBL16721934 0.89 BRD4 (0.49) BRD4IDH1NAMPT
SCHEMBL17018109 0.87 BRD4 (0.55) BRD4IDH1NAMPT
SCHEMBL21249889 0.87 BRD4 (0.40) BRD4IDH1CD274NAMPTCYP3A4
SCHEMBL17018108 0.86 BRD4 (0.54) BRD4IDH1
SCHEMBL21249915 0.85 BRD4 (0.57) BRD4IDH1
SCHEMBL17018264 0.85 BRD4 (0.53) BRD4IDH1NAMPT
SCHEMBL17018253 0.85 BRD4 (0.53) BRD4IDH1NAMPT
SCHEMBL17018106 0.85 BRD4 (0.51) BRD4CYP3A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703764-B2 Benzopiperazine compositions as BET bromodomain inhibitors FORMA THERAPEUTICS, INC. (US) 2020-07-07 — — US disclosed
US-20190330233-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2019-10-31 — — US disclosed
US-20160257699-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2016-09-08 — — US disclosed
US-20160256458-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2016-09-08 — — US disclosed
US-9422281-B2 Benzopiperazine compositions as BET bromodomain inhibitors FORMA THERAPEUTICS, INC. (US) 2016-08-23 — — US disclosed
US-20150232465-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2015-08-20 — — 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 (5 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-20190330233-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 BRD4 1/4885IDH1 1674/4885CD274 3388/4885
US-10703764-B2 Benzopiperazine compositions as BET bromodomain inhibitors BRD4, BRPF3, BRD7 BRD4 1/4885IDH1 1674/4885CD274 3388/4885
US-20150232465-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 BRD4 1/4885IDH1 1674/4885CD274 3388/4885
US-20160256458-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 BRD4 1/4885IDH1 1674/4885CD274 3388/4885
US-20160257699-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 BRD4 1/4885IDH1 1674/4885CD274 3388/4885

“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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