SCHEMBL3146367

SCHEMBL3146367

Cc1nc(-c2c[c]ccn2)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.45
KDM4B O94953 1/20 0.45
KDM5C P41229 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
ECE1 P42892 1/20 0.41
GAA P10253 3/20 0.40
RECQL P46063 2/20 0.39
TSHR P16473 1/20 0.39
PRMT6 Q96LA8 1/20 0.38
KDM4E B2RXH2 4/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
ESR2 Q92731 1/20 0.37
GRM5 P41594 2/20 0.36
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
HTT P42858 2/20 0.35

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
SCHEMBL1450328 0.76 KDM4E (0.36) KDM4EPOLBALDH1A1HPGDHTT
SCHEMBL24359598 0.76 GAA (0.52) KDM4AKDM4BKDM5CKDM5BECE1
SCHEMBL10272523 0.74 CYP19A1 (0.61) KDM4AKDM4BKDM5CKDM5BECE1
SCHEMBL61174 0.74 RECQL (0.53) GAARECQLTSHRPRMT6KDM4E
SCHEMBL3149561 0.71 GAA (0.44) KDM4AKDM4BKDM5CKDM5BECE1
SCHEMBL3405178 0.71 KDM4A (0.47) KDM4AKDM4BKDM5CKDM5BECE1
SCHEMBL15600905 0.70 GRM5 (0.53) KDM4AKDM4BKDM5CKDM5BECE1
SCHEMBL4904143 0.69 KDM4E (0.54) KDM4EPOLBALDH1A1MAPTHPGD
SCHEMBL16720504 0.68 KDM4A (0.41) KDM4AKDM4BKDM5CKDM5BTSHR
SCHEMBL533381 0.68 GAA (0.61) GAARECQLTSHRPRMT6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230201161-A1 Combination comprising HDAC inhibitor, LAG-3 inhibitor and a PD-1 inhibitor or PD-L1 inhibitor for cancer treatment 4SC AG (DE) 2023-06-29 US disclosed
US-20210145799-A1 PHARMACEUTICAL COMBINATION PRODUCTS COMPRISING A HISTONE DEACETYLASE (HDAC) INHIBITOR AND A TLR7 AGONIST AND/OR TLR8 AGONIST FOR THE TREATMENT OF CANCER 4SC AG (DE) 2021-05-20 US disclosed
US-20210113528-A1 Combination comprising HDAC inhibitor and CD137 agonist for cancer therapy 4SC AG (DE) 2021-04-22 US disclosed
WO-2021064188-A1 COMBINATION COMPRISING HDAC INHIBITOR, CTLA-4 INHIBITOR AND A PD-1 INHIBITOR OR PD-L1 INHIBITOR FOR CANCER TREATMENT 4SC AG (DE) 2021-04-08 WO disclosed
EP-3781557-A1 PHARMACEUTICAL COMBINATION PRODUCTS COMPRISING A HISTONE DEACETYLASE (HDAC) INHIBITOR AND A TLR7 AGONIST AND/OR TLR8 AGONIST FOR THE TREATMENT OF CANCER 4SC AG (DE) 2021-02-24 EP disclosed
EP-3781159-A1 COMBINATION COMPRISING HDAC INHIBITOR, LAG-3 INHIBITOR AND A PD-1 INHIBITOR OR PD-L1 INHIBITOR FOR CANCER TREATMENT 4SC AG (DE) 2021-02-24 EP disclosed
EP-3773554-A1 COMBINATION COMPRISING HDAC INHIBITOR AND CD137 AGONIST FOR CANCER THERAPY 4SC AG (DE) 2021-02-17 EP disclosed
CN-112105611-A Pharmaceutical combination comprising a Histone Deacetylase (HDAC) inhibitor and a TLR7 agonist and/or a TLR8 agonist for the treatment of cancer 4SC股份公司 2020-12-18 CN disclosed
CN-112055589-A Combination comprising an HDAC inhibitor, a LAG-3 inhibitor and a PD-1 inhibitor or a PD-L1 inhibitor for the treatment of cancer 4SC股份公司 2020-12-08 CN disclosed
CN-112004535-A Combination comprising an HDAC inhibitor and a CD137 agonist for cancer therapy 4SC股份公司 2020-11-27 CN disclosed
WO-2019048629-A1 HDAC INHIBITOR IN COMBINATION WITH IMMUNE CHECKPOINT MODULATOR FOR CANCER THERAPY 4SC AG (DE) 2019-03-14 WO disclosed
US-8815855-B2 N-sulphonylpyrroles and their use as histone deacetylase inhibitors 4SC AG (DE) 2014-08-26 US disclosed
CN-101137623-B N-sulphonylpyrroles and use thereof as histone deacetylase inhibitors NYCOMED GMBH 2013-03-27 CN disclosed
US-20100074862-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS MAIER THOMAS 2010-03-25 US disclosed
US-7666868-B2 e.g. N-Hydroxy-3-{1-[4-(1-methyl-1H-indol-5-yl)-benzenesulfonyl]-1H-pyrrol-3-yl}-acrylamide; antiproliferative, anticarcinogenic, antiinflammatory, neuroleptic agent, autoimmune disorders 4SC AG (DE) 2010-02-23 US disclosed
EP-1861365-B1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-07-01 EP disclosed
US-20080176848-A1 e.g. N-Hydroxy-3-{1-[4-(1-methyl-1H-indol-5-yl)-benzenesulfonyl]-1H-pyrrol-3-yl}-acrylamide; antiproliferative, anticarcinogenic, antiinflammatory, neuroleptic agent, autoimmune disorders NYCOMED GMBH (DE) 2008-07-24 US disclosed
CN-101137623-A N-sulphonylpyrroles and their use as histone deacetylase inhibitors NYCOMED GMBH (DE) 2008-03-05 CN disclosed
EP-1861365-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS Nycomed GmbH (DE) 2007-12-05 EP disclosed
WO-2006097474-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS NYCOMED GMBH (DE) 2006-09-21 WO 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-20210145799-A1 PHARMACEUTICAL COMBINATION PRODUCTS COMPRISING A HISTONE DEACETYLASE (HDAC) INHIBITOR AND A TLR7 AGONIST AND/OR TLR8 AGONIST FOR THE TREATMENT OF CANCER HDAC8, TLR8, TLR7 KDM4A 178/4885KDM4B 394/4885KDM5C 227/4885
US-20080176848-A1 e.g. N-Hydroxy-3-{1-[4-(1-methyl-1H-indol-5-yl)-benzenesulfonyl]-1H-pyrrol-3-yl}-acrylamide; antiproliferative, anticarcinogenic, antiinflammatory, neuroleptic agent, autoimmune disorders HDAC1, H1-3, HDAC2 KDM4A 468/4885KDM4B 761/4885KDM5C 1078/4885
US-20210113528-A1 Combination comprising HDAC inhibitor and CD137 agonist for cancer therapy HDAC7, HDAC1, HDAC11 KDM4A 361/4885KDM4B 572/4885KDM5C 742/4885
US-20100074862-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 KDM4A 101/4885KDM4B 153/4885KDM5C 276/4885
US-20230201161-A1 Combination comprising HDAC inhibitor, LAG-3 inhibitor and a PD-1 inhibitor or PD-L1 inhibitor for cancer treatment HDAC1, HDAC3, HDAC11 KDM4A 73/4885KDM4B 198/4885KDM5C 90/4885

“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.