SCHEMBL5564252

SCHEMBL5564252

O=S(=O)(c1ccccc1)n1c(Br)cc2c(Cl)ncnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.41
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PTGDR2 Q9Y5Y4 4/20 0.37
CXCL8 P10145 2/20 0.37
NOD1 Q9Y239 2/20 0.37
ALDH1A1 P00352 3/20 0.34
PKM P14618 2/20 0.34
JAK2 O60674 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
ALDH3A1 P30838 1/20 0.34
NOD2 Q9HC29 1/20 0.34
HTR6 P50406 2/20 0.33
CNR1 P21554 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 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
SCHEMBL30440833 1.00 SRC (0.41) SRCPDE4APDE4BPDE4CPDE4D
SCHEMBL31706943 0.87 PTGDR2 (0.39) PTGDR2CXCL8NOD1ALDH1A1PKM
SCHEMBL15504622 0.86 SRC (0.43) SRCPDE4APDE4BPDE4CPDE4D
SCHEMBL3537397 0.85 PTGDR2 (0.43) SRCPDE4APDE4BPDE4CPDE4D
SCHEMBL5004901 0.84 SRC (0.41) SRCPDE4APDE4BPDE4CPDE4D
SCHEMBL3538021 0.83 SRC (0.40) SRCPDE4APDE4BPDE4CPDE4D
SCHEMBL25324645 0.81 ENPP3 (0.44) SRCPTGDR2ALDH1A1PKMCYP2C19
SCHEMBL3717687 0.81 P2RX7 (0.40) SRCCXCL8NOD1ALDH3A1NOD2
SCHEMBL25456984 0.81 DCTPP1 (0.40) SRCPTGDR2CXCL8NOD1ALDH1A1
SCHEMBL20139600 0.79 HTR1A (0.46) SRCPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023098699-A1 COMPOUNDS AND THEIR USES AS CD38 INHIBITORS NANJING IMMUNOPHAGE BIOTECH CO., LTD (CN) 2023-06-08 WO disclosed
WO-2023098699-A1 COMPOUNDS AND THEIR USES AS CD38 INHIBITORS NANJING IMMUNOPHAGE BIOTECH CO., LTD (CN) 2023-06-08 WO disclosed
EP-3145512-B1 SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS JIANGSU HENGRUI MEDICINE CO (CN) 2019-07-17 EP disclosed
EP-3145512-B1 SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS JIANGSU HENGRUI MEDICINE CO (CN) 2019-07-17 EP disclosed
US-10144737-B2 Substituted ethynyl heterobicyclic compounds as tyrosine kinase inhibitors JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-12-04 US disclosed
US-20170114063-A1 SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS Eternity Bioscience Inc. (US) 2017-04-27 US disclosed
US-20170114063-A1 SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS Eternity Bioscience Inc. (US) 2017-04-27 US disclosed
US-20170114063-A1 SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS Eternity Bioscience Inc. (US) 2017-04-27 US disclosed
EP-3145512-A1 SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS Eternity Bioscience Inc. (US) 2017-03-29 EP disclosed
WO-2015178955-A1 SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS Eternity Bioscience Inc. (US) 2015-11-26 WO disclosed
WO-2015178955-A1 SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS Eternity Bioscience Inc. (US) 2015-11-26 WO disclosed
WO-2011149827-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-12-01 WO disclosed
US-7968536-B2 Heterocyclic compounds useful as RAF kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-28 US disclosed
US-7968536-B2 Heterocyclic compounds useful as RAF kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-28 US disclosed
WO-2009006404-A2 HETEROCYCLIC COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2009-01-08 WO disclosed
US-20090005359-A1 Heterocyclic Compounds Useful as RAF Kinase Inhibitors SUNESIS PHARMACEUTICALS, INC (US) 2009-01-01 US disclosed
US-20090005359-A1 Heterocyclic Compounds Useful as RAF Kinase Inhibitors SUNESIS PHARMACEUTICALS, INC (US) 2009-01-01 US disclosed
US-7253166-B2 6-phenyl-7H-pyrrolo[2,3-d]pyrimidine compounds that induce neuronal differentiation in embryonic stem cells IRM LLC (BM) 2007-08-07 US disclosed
US-20050038049-A1 Compounds that induce neuronal differentiation in embryonic stem cells THE SCRIPPS RESEARCH INSTITUTE (US) 2005-02-17 US disclosed
WO-2004093812-A2 COMPOUNDS THAT INDUCE NEURONAL DIFFERENTIATION IN EMBRYONIC STEM CELLS IRM LLC (BM) 2004-11-04 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-20170114063-A1 SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS BTK, BCL9, LCK SRC 22/4885PDE4A 4413/4885PDE4B 4417/4885
US-20050038049-A1 Compounds that induce neuronal differentiation in embryonic stem cells FER, ERBB3, FLT3 SRC 67/4885PDE4A 1965/4885PDE4B 1888/4885
US-10144737-B2 Substituted ethynyl heterobicyclic compounds as tyrosine kinase inhibitors BTK, BCL9, LCK SRC 22/4885PDE4A 4413/4885PDE4B 4417/4885
US-20090005359-A1 Heterocyclic Compounds Useful as RAF Kinase Inhibitors BRAF, RAF1, ARAF SRC 207/4885PDE4A 1518/4885PDE4B 1541/4885

“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.