SCHEMBL17018113

SCHEMBL17018113

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 13/20 0.51
▸ PRKAB2 O43741 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ LYN P07948 1/20 0.41
▸ PRKAG1 P54619 1/20 0.41
▸ SIK1 P57059 1/20 0.41
▸ PRKAA1 Q13131 1/20 0.41
▸ SIK2 Q9H0K1 1/20 0.41
▸ SIK3 Q9Y2K2 1/20 0.41
▸ IKBKE Q14164 1/20 0.36
▸ TBK1 Q9UHD2 1/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ EED O75530 1/20 0.34
▸ MET P08581 1/20 0.34
▸ CREBBP Q92793 4/20 0.34
▸ WNT1 P04628 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ TYRO3 Q06418 1/20 0.33

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
SCHEMBL17018097 0.92 BRD4 (0.61) BRD4PRKAB2ABL1CSF1RLYN
SCHEMBL16722066 0.92 BRD4 (0.51) BRD4NAMPTCREBBPWNT1GSK3B
SCHEMBL17018266 0.92 BRD4 (0.49) BRD4PRKAB2ABL1CSF1RLYN
SCHEMBL17018104 0.91 BRD4 (0.54) BRD4PRKAB2ABL1CSF1RLYN
SCHEMBL17018115 0.90 BRD4 (0.49) BRD4MET
SCHEMBL17018118 0.90 BRD4 (0.52) BRD4PRKAB2ABL1CSF1RLYN
SCHEMBL17018117 0.88 BRD4 (0.51) BRD4PRKAB2ABL1CSF1RLYN
SCHEMBL17018120 0.88 BRD4 (0.51) BRD4TBK1NAMPTCREBBPGSK3B
SCHEMBL17018248 0.88 BRD4 (0.47) BRD4NAMPTCREBBPWNT1GSK3B
SCHEMBL17018124 0.87 BRD4 (0.50) BRD4

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 5 patents. 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
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 (4 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-20150232465-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 BRD4 1/4885PRKAB2 3381/4885ABL1 1996/4885
US-20160256458-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 BRD4 1/4885PRKAB2 3381/4885ABL1 1996/4885
US-10377769-B2 Benzopiperazine compositions as BET bromodomain inhibitors BRD4, BRPF3, BRD7 BRD4 1/4885PRKAB2 3381/4885ABL1 1996/4885
US-20160257699-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 BRD4 1/4885PRKAB2 3381/4885ABL1 1996/4885

“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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