SCHEMBL1880862

SCHEMBL1880862

Fc1cnc2[nH]cc(I)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
MAPK1 P28482 1/20 0.41
CLK1 P49759 8/20 0.39
DYRK1A Q13627 8/20 0.39
CLK4 Q9HAZ1 2/20 0.39
CLK2 P49760 1/20 0.39
DYRK2 Q92630 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
AXL P30530 2/20 0.38
CDK8 P49336 1/20 0.38
TNIK Q9UKE5 1/20 0.38
GSK3B P49841 2/20 0.37
CDC7 O00311 1/20 0.37
ROCK2 O75116 1/20 0.37
MAP4K4 O95819 1/20 0.37
PIM1 P11309 1/20 0.37
PRKACA P17612 1/20 0.37
CDK2 P24941 1/20 0.37
HIPK2 Q9H2X6 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL15241762 0.80 BRD4 (0.49) BRD4MAPK1CLK1DYRK1ACLK4
SCHEMBL8320542 0.80 DYRK1A (0.59) BRD4CLK1DYRK1ACLK4CLK2
SCHEMBL68662 0.77 DYRK1A (0.58) BRD4MAPK1CLK1DYRK1ACLK4
SCHEMBL7912970 0.77 BRD4 (0.47) BRD4MAPK1CLK1DYRK1ACLK4
SCHEMBL11968454 0.77 BRD4 (0.47) BRD4MAPK1CLK1DYRK1ACLK4
SCHEMBL1053943 0.77 JAK2 (0.58) BRD4MAPK1AXLCDK8TNIK
SCHEMBL1045946 0.77 BRD4 (0.54) BRD4MAPK1CLK1DYRK1ACLK4
SCHEMBL31228005 0.77 BRD4 (0.54) BRD4MAPK1CLK1DYRK1ACLK4
SCHEMBL14678434 0.77 AXL (0.47) MAPK1CLK1DYRK1ACLK4CLK2
SCHEMBL21893812 0.77 GSK3B (0.56) CLK1DYRK1ACLK4CLK2DYRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117362318-A PB2 inhibitor and preparation method and application thereof 西藏海思科制药有限公司 2024-01-09 CN disclosed
CN-115698011-B PB2 inhibitor and preparation method and application thereof 四川海思科制药有限公司 2023-10-20 CN disclosed
US-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-08-24 US disclosed
US-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-08-24 US disclosed
US-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-08-24 US disclosed
EP-4180434-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2023-05-17 EP disclosed
EP-4180434-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2023-05-17 EP disclosed
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-02-23 US disclosed
CN-115698011-A PB2 inhibitor and preparation method and application thereof 四川海思科制药有限公司 2023-02-03 CN disclosed
WO-2022007966-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川海思科制药有限公司 2022-01-13 WO disclosed
CN-102695417-A Compounds and methods for kinase modulation and indications therefor PLEXXIKON INC 2012-09-26 CN disclosed
EP-2496086-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-09-12 EP disclosed
WO-2011057022-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-12 WO disclosed
US-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-05-12 US disclosed
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHAMACEUTICALS (US) 2010-06-10 US disclosed
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHAMACEUTICALS (US) 2010-06-10 US disclosed
CN-101541783-A Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS (US) 2009-09-23 CN disclosed
EP-2038272-A2 PYRIDINONYL PDK1 INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2009-03-25 EP disclosed
WO-2008005457-A2 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS (US) 2008-01-10 WO disclosed
WO-2008005457-A2 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS (US) 2008-01-10 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 (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-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP11B2, WEE2, CYP11B1 BRD4 2684/4885MAPK1 42/4885CLK1 2874/4885
US-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF BRD4 3163/4885MAPK1 156/4885CLK1 790/4885
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 BRD4 305/4885MAPK1 530/4885CLK1 472/4885
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 BRD4 223/4885MAPK1 541/4885CLK1 676/4885

“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.