SCHEMBL20163121

SCHEMBL20163121

Cc1nc(C(=O)N(NC(=O)OC(C)(C)C)c2cccc(-c3ccoc3)c2)sc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.42
GPR119 Q8TDV5 1/20 0.40
CKS1B P61024 2/20 0.35
SKP1 P63208 2/20 0.35
SKP2 Q13309 2/20 0.35
ACHE P22303 2/20 0.35
ABCB1 P08183 3/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
KIT P10721 2/20 0.34
JAK2 O60674 2/20 0.34
JAK3 P52333 2/20 0.34
BACE1 P56817 1/20 0.34
ADORA2A P29274 1/20 0.34
PTK2 Q05397 1/20 0.34
ALK Q9UM73 1/20 0.33
PIK3CA P42336 1/20 0.33
GBA1 P04062 1/20 0.33
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
PBRM1 Q86U86 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
SCHEMBL20163083 0.88 ABCB1 (0.44) HDAC2GPR119CKS1BSKP1SKP2
SCHEMBL20163076 0.87 GPR119 (0.41) GPR119CKS1BSKP1SKP2ACHE
SCHEMBL20163033 0.87 GPR119 (0.41) HDAC2GPR119CKS1BSKP1SKP2
SCHEMBL20163026 0.87 GBA1 (0.45) HDAC2GPR119CKS1BSKP1SKP2
SCHEMBL20163147 0.83 GPR119 (0.42) HDAC2GPR119CKS1BSKP1SKP2
SCHEMBL20163023 0.83 HDAC2 (0.40) HDAC2GPR119CKS1BSKP1SKP2
SCHEMBL20163029 0.81 GPR119 (0.44) HDAC2GPR119CKS1BSKP1SKP2
SCHEMBL20163099 0.81 CKS1B (0.43) HDAC2GPR119CKS1BSKP1SKP2
SCHEMBL20163052 0.81 HDAC3 (0.43) HDAC2GPR119CKS1BSKP1SKP2
SCHEMBL20163118 0.79 HDAC2 (0.58) HDAC2GPR119BACE1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2023-01-03 US disclosed
US-20220281833-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2022-09-08 US disclosed
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2020-12-03 US disclosed
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, INC. (US) 2020-09-15 US disclosed
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2019-10-31 US disclosed
EP-3544969-A1 PIPERAZINE DERIVATIVES AS SELECTIVE HDAC1,2 INHIBITORS Regenacy Pharmaceuticals, LLC (US) 2019-10-02 EP disclosed
US-10385031-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2019-08-20 US disclosed
WO-2018098296-A1 PIPERAZINE DERIVATIVES AS SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC (US) 2018-05-31 WO disclosed
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2018-05-24 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 (7 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-10385031-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC2 2/4885GPR119 1458/4885CKS1B 366/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC2 2/4885GPR119 1354/4885CKS1B 363/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC2 2/4885GPR119 1560/4885CKS1B 246/4885
US-20220281833-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC2 2/4885GPR119 1880/4885CKS1B 436/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC2 2/4885GPR119 2449/4885CKS1B 573/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC2 2/4885GPR119 1880/4885CKS1B 436/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC2 2/4885GPR119 1560/4885CKS1B 246/4885

“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.