SCHEMBL11968454

SCHEMBL11968454

[Rb]c1cnc2[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
AXL P30530 1/20 0.38
CDK8 P49336 1/20 0.38
TNIK Q9UKE5 1/20 0.38
DYRK1A Q13627 3/20 0.36
JAK2 O60674 2/20 0.36
MAPK8 P45983 2/20 0.36
PLK4 O00444 1/20 0.36
AURKA O14965 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PRKCG P05129 1/20 0.36
INSR P06213 1/20 0.36
CDK1 P06493 1/20 0.36
FES P07332 1/20 0.36
IGF1R P08069 1/20 0.36
ROS1 P08922 1/20 0.36
FGFR1 P11362 1/20 0.36

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) BRD4MAPK1AXLCDK8TNIK
SCHEMBL7912970 0.77 BRD4 (0.47) BRD4MAPK1AXLCDK8TNIK
SCHEMBL68662 0.77 DYRK1A (0.58) BRD4MAPK1AXLCDK8TNIK
SCHEMBL1053943 0.77 JAK2 (0.58) BRD4MAPK1AXLCDK8TNIK
SCHEMBL1045946 0.77 BRD4 (0.54) BRD4MAPK1AXLCDK8TNIK
SCHEMBL1880862 0.77 BRD4 (0.47) BRD4MAPK1AXLCDK8TNIK
SCHEMBL11968479 0.77 AXL (0.38) BRD4AXLCDK8TNIKDYRK1A
SCHEMBL20292802 0.73 AXL (0.45) BRD4MAPK1AXLCDK8TNIK
SCHEMBL1885317 0.73 BRD4 (0.43) BRD4MAPK1AXLCDK8TNIK
SCHEMBL19787915 0.73 BRD4 (0.47) BRD4MAPK1AXLCDK8TNIK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4692089-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AS AAK1 INHIBITOR Alicorn Pharmaceutical Co., Ltd. (CN) 2026-02-11 EP disclosed
WO-2024207945-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AS AAK1 INHIBITOR 艾立康药业股份有限公司 2024-10-10 WO disclosed
US-20210253571-A1 AZAINDOLE DERIVATIVE AND USE THEREOF AS FGFR AND C-MET INHIBITOR WUXI LIFE FOUNTAIN BIOTECH CO., LTD (CN) 2021-08-19 US disclosed
EP-3666770-A1 NOVEL HETEROCYCLIC COMPOUNDS AS CDK8/19 INHIBITORS Joint Stock Company "Biocad" (RU) 2020-06-17 EP disclosed
US-20170283423-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2017-10-05 US disclosed
US-20170283423-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2017-10-05 US disclosed
US-20170283423-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2017-10-05 US disclosed
EP-2560972-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2017-09-20 EP disclosed
EP-2560972-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2017-09-20 EP disclosed
WO-2017133667-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA THEREOF SAVIRA PHARMACEUTICALS GMBH (AT) 2017-08-10 WO disclosed
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 US disclosed
US-8242280-B2 morpholin-4-yl-{3-[3-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl-phenyl}-methanone; FMS-like tyrosine kinase 3 (FLT3), is implicated in cancers, including leukemia, such as acute myeloid leukemia (AML), acute lymphoblastic leukemia (ALL), and myelodysplasia SGX PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
WO-2011133637-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-10-27 WO disclosed
US-20110263595-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Opna Bio SA (CH) 2011-10-27 US disclosed
US-20110263595-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Opna Bio SA (CH) 2011-10-27 US disclosed
US-20110263595-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Opna Bio SA (CH) 2011-10-27 US disclosed
US-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-05-12 US disclosed
US-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-05-12 US disclosed
EP-1749829-B1 JNK inhibitors EISAI R&D MAN CO LTD (JP) 2010-11-03 EP disclosed
US-20080261921-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-23 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 (6 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-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF BRD4 3163/4885MAPK1 156/4885AXL 90/4885
US-20080261921-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, MAP3K19, MAP4K2 BRD4 359/4885MAPK1 280/4885AXL 711/4885
US-20210253571-A1 AZAINDOLE DERIVATIVE AND USE THEREOF AS FGFR AND C-MET INHIBITOR MET, FGFR1, FGFR2 BRD4 941/4885MAPK1 375/4885AXL 31/4885
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF BRD4 3163/4885MAPK1 156/4885AXL 90/4885
US-20110263595-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, NTRK1, PRKDC BRD4 4349/4885MAPK1 213/4885AXL 36/4885
US-20170283423-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, PRKDC, NTRK1 BRD4 4399/4885MAPK1 184/4885AXL 78/4885

“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.