SCHEMBL1704971

SCHEMBL1704971

Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CC(=O)O)CC2)n1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.86
HDAC4 P56524 5/20 0.86
HDAC1 Q13547 5/20 0.86
HDAC7 Q8WUI4 5/20 0.86
HDAC2 Q92769 5/20 0.86
HDAC10 Q969S8 5/20 0.86
HDAC11 Q96DB2 5/20 0.86
HDAC8 Q9BY41 5/20 0.86
HDAC6 Q9UBN7 5/20 0.86
HDAC9 Q9UKV0 5/20 0.86
HDAC5 Q9UQL6 5/20 0.86
ABL1 P00519 12/20 0.83
SRC P12931 9/20 0.83
LCK P06239 5/20 0.83
EGFR P00533 3/20 0.83
FYN P06241 3/20 0.83
YES1 P07947 3/20 0.83
LYN P07948 3/20 0.83
HCK P08631 3/20 0.83
KIT P10721 3/20 0.83

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
SCHEMBL29750253 1.00 HDAC3 (0.86) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL29817345 0.99 HDAC3 (0.85) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14416600 0.94 HDAC3 (0.86) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13626293 0.93 ABL1 (0.89) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1146496 0.92 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28914780 0.92 ABL1 (0.88) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19362612 0.92 ABL1 (0.85) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16569731 0.92 ABL1 (0.84) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25243991 0.91 HDAC3 (0.87) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1147166 0.91 HDAC3 (0.81) HDAC3HDAC4HDAC1HDAC7HDAC2

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111298127-A Composition comprising histamine release-promoting substance and inhibitory compound, and oral solid preparation containing the same 黄泳华 2020-06-19 CN claimed
US-12577556-B2 Perturbation beads for use in assays Zafrens Inc. (US) 2026-03-17 US disclosed
US-20240361310-A1 Capture Beads for Use in Assays Zafrens Inc. (US) 2024-10-31 US disclosed
US-20240327824-A1 Perturbation Beads for Use in Assays Zafrens Inc. (US) 2024-10-03 US disclosed
US-20240269139-A1 COMPOUNDS FOR TARGETED PROTEIN DEGRADATION OF KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-08-15 US disclosed
US-11913944-B2 Photoaffinity probes PROMEGA CORPORATION (US) 2024-02-27 US disclosed
US-11913944-B2 Photoaffinity probes PROMEGA CORPORATION (US) 2024-02-27 US disclosed
US-20230271983-A1 FUNCTIONALIZED ISONITRILES AND PRODUCTS, PREPARATION AND USES THEREOF UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2023-08-31 US disclosed
EP-4232023-A1 COMPOUNDS FOR TARGETED PROTEIN DEGRADATION OF KINASES Dana-Farber Cancer Institute, Inc. (US) 2023-08-30 EP disclosed
US-20220387602-A1 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE NOVARTIS AG (CH) 2022-12-08 US disclosed
EP-2492355-A1 Tissue protective erythropoietin receptor (nepor) and methods of use Life Biosystems GmbH (DE) 2012-08-29 EP disclosed
EP-2109690-B1 EPH-B4 SPECIFIC SIRNA FOR REDUCING EPO-INDUCED TUMOR CELL GROWTH DURING ANEMIA TREATMENT IN CANCER PATIENTS, TISSUE PROTECTIVE ERYTHROPOIETIN RECEPTOR (NEPOR) AND METHODS OF USE. MOLECULAR HEALTH GMBH (DE) 2012-04-18 EP disclosed
EP-2435581-A1 NOVEL TISSUE PROTECTIVE ERYTHROPOIETIN RECEPTOR (NEPOR) AND METHODS OF USE MOLECULAR HEALTH GmbH (DE) 2012-04-04 EP disclosed
WO-2010136192-A1 NOVEL TISSUE PROTECTIVE ERYTHROPOIETIN RECEPTOR (NEPOR) AND METHODS OF USE ALEPOR GMBH & CO. KG (DE) 2010-12-02 WO disclosed
US-20090306186-A1 NOVEL TISSUE PROTECTIVE ERYTHROPOIETIN RECEPTOR (NEPOR) AND METHODS OF USE ALEPOR GMBH & CO. KG 2009-12-10 US disclosed
US-7622473-B2 'N-(2-chloro-6-methylphenyl)-2-[[(6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-5-thiazolecarboxamides metabolites BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
US-7622473-B2 'N-(2-chloro-6-methylphenyl)-2-[[(6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-5-thiazolecarboxamides metabolites BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
WO-2007106879-A2 PROCESS FOR PREPARING N-(2-CHLORO-6-METHYLPHENYL)-2-[[6-[4-(2-HYDROXYETHYL)-1-PIPERAZINYL]-2-METHYL-4-PYRIMIDINYL]AMINO]-5-THIAZOLECARBOXAMIDE AND RELATED METABOLITES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-20 WO disclosed
US-20070219370-A1 PROCESS FOR PREPARING N-(2-CHLORO-6-METHYLPHENYL)-2-[[6-[4-(2-HYDROXYETHYL)-1-PIPERAZINYL]-2-METHYL-4-PYRIMIDINYL]AMINO] -5-THIAZOLECARBOXAMIDE AND RELATED METABOLITES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2007-09-20 US disclosed
US-20070219370-A1 PROCESS FOR PREPARING N-(2-CHLORO-6-METHYLPHENYL)-2-[[6-[4-(2-HYDROXYETHYL)-1-PIPERAZINYL]-2-METHYL-4-PYRIMIDINYL]AMINO] -5-THIAZOLECARBOXAMIDE AND RELATED METABOLITES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2007-09-20 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-20070219370-A1 PROCESS FOR PREPARING N-(2-CHLORO-6-METHYLPHENYL)-2-[[6-[4-(2-HYDROXYETHYL)-1-PIPERAZINYL]-2-METHYL-4-PYRIMIDINYL]AMINO] -5-THIAZOLECARBOXAMIDE AND RELATED METABOLITES THEREOF UGT1A6, PAH, CYP2B6 HDAC3 921/4885HDAC4 982/4885HDAC1 1279/4885
US-20220387602-A1 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE JMJD7, MDM2, IDE HDAC3 2314/4885HDAC4 3363/4885HDAC1 1256/4885
US-12577556-B2 Perturbation beads for use in assays PLK1, TOP1, MBNL1 HDAC3 4168/4885HDAC4 3502/4885HDAC1 3733/4885
US-20230271983-A1 FUNCTIONALIZED ISONITRILES AND PRODUCTS, PREPARATION AND USES THEREOF KIT, MACF1, IK HDAC3 4139/4885HDAC4 3621/4885HDAC1 4464/4885
US-20240269139-A1 COMPOUNDS FOR TARGETED PROTEIN DEGRADATION OF KINASES TTK, MKNK1, MAP3K20 HDAC3 1404/4885HDAC4 2638/4885HDAC1 1468/4885

“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.