SCHEMBL4301655

SCHEMBL4301655

CCCCCc1ccnc(Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.53
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP19A1 P11511 3/20 0.36
CNR2 P34972 1/20 0.34
PDPK1 O15530 1/20 0.34
TLR8 Q9NR97 2/20 0.33
MIF P14174 1/20 0.33
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
ADRB3 P13945 2/20 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
SCHEMBL3003171 0.98 KCNH2 (0.56) KCNH2TDP1L3MBTL1CYP19A1ADRB3
SCHEMBL16178953 0.94 KCNH2 (0.46) KCNH2PDPK1TLR8
SCHEMBL24799116 0.81 NOS2 (0.38) KCNH2
SCHEMBL24258924 0.80 KCNH2 (0.35) KCNH2
SCHEMBL899234 0.79 KCNH2 (0.55) KCNH2TDP1L3MBTL1PDPK1TLR8
SCHEMBL11561943 0.79 KCNH2 (0.55) KCNH2TDP1L3MBTL1CYP19A1PDPK1
SCHEMBL27667823 0.79 KCNH2 (0.42) KCNH2L3MBTL1CNR2TLR8
SCHEMBL715269 0.78
SCHEMBL3248683 0.78 KCNH2 (0.53) KCNH2PDPK1TLR8
SCHEMBL22298878 0.78 KCNH2 (0.58) KCNH2TDP1L3MBTL1CYP19A1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0114770-B1 COMPOUNDS WITH DINITROGEN CONTAINING HETEROCYCLIC NUCLEUS, THEIR PROCESS OF PREPARATION AND MEDICINES ACTIVE ON THE CENTRAL NERVE SYSTEM CONTAINING THEM SANOFI S.A. (FR) 1987-07-22 EP claimed
EP-0114770-A2 Compounds with dinitrogen containing heterocyclic nucleus, their process of preparation and medicines active on the central nerve system containing them SANOFI S.A. (FR) 1984-08-01 EP claimed
US-11820753-B2 Inhibitors of bacterial pasta kinases WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2023-11-21 US disclosed
US-20230135635-A1 INHIBITORS OF ULK1/2 AND METHODS OF USING SAME Sanford Burnham Prebys Medical Discovery Institute 2023-05-04 US disclosed
US-20230060122-A9 INHIBITORS OF BACTERIAL PASTA KINASES WISCONSIN ALUMNI RESEARCH FOUNDATION 2023-02-23 US disclosed
CN-115515589-A ULK1/2 inhibitors and methods of use thereof 萨克生物研究学院 2022-12-23 CN disclosed
EP-4103182-A1 INHIBITORS OF ULK1/2 AND METHODS OF USING SAME Salk Institute for Biological Studies (US) 2022-12-21 EP disclosed
WO-2021163629-A1 INHIBITORS OF ULK1/2 AND METHODS OF USING SAME SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2021-08-19 WO disclosed
CN-1926132-B Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMA CO LTD 2010-12-29 CN disclosed
US-20090048282-A1 PYRIMIDINE SULFONAMIDE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-19 US disclosed
US-20080287452-A1 HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2008-11-20 US disclosed
CN-100355750-C Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMA (US) 2007-12-19 CN disclosed
CN-1926132-A Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMA (US) 2007-03-07 CN disclosed
CN-1473161-A Pyrazole compounds as protein kinase inhibitors ��̩��˹ҩ��ɷ����޹�˾ 2004-02-04 CN disclosed
CN-1469874-A Pyrazole compounds useful as protein kinase inhibitors ��̩��˹ҩ��ɷ����޹�˾ 2004-01-21 CN disclosed
CN-1469875-A Pyrazole compounds useful as protein kinase inhibitors ��̩��˹ҩ��ɷ����޹�˾ 2004-01-21 CN disclosed
US-5795905-A 3-AMINO-5-PHENYL-1,2,4-TRIAZOLES NEUROCRINE BIOSCIENCES, INC. (US) 1998-08-18 US disclosed
EP-0846108-A1 AMINO-SUBSTITUTED THIADIAZOLES, PYRIMIDINES, TRIAZINES OR TRIAZOLES USEFUL AS CTF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 1998-06-10 EP disclosed
WO-1996039400-A1 AMINO-SUBSTITUTED THIADIAZOLES, PYRIMIDINES, TRIAZINES OR TRIAZOLES USEFUL AS CTF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 1996-12-12 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-11820753-B2 Inhibitors of bacterial pasta kinases SBK3, MAP3K3, MAP4K3 KCNH2 2861/4885TDP1 2946/4885L3MBTL1 2648/4885
US-20230135635-A1 INHIBITORS OF ULK1/2 AND METHODS OF USING SAME ULK2, ULK1, ULK3 KCNH2 4862/4885TDP1 607/4885L3MBTL1 2025/4885
US-20080287452-A1 HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT3A, CTNNB1, WNT1 KCNH2 4701/4885TDP1 2097/4885L3MBTL1 1642/4885
US-20090048282-A1 PYRIMIDINE SULFONAMIDE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT1, CTNNB1, WNT3A KCNH2 4711/4885TDP1 2824/4885L3MBTL1 3260/4885
US-20230060122-A9 INHIBITORS OF BACTERIAL PASTA KINASES SBK3, MAP3K3, MAP4K3 KCNH2 2861/4885TDP1 2946/4885L3MBTL1 2648/4885

“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.