SCHEMBL1801277

SCHEMBL1801277

CN1CCCC1c1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(C4=CCC5(CC4)OCCO5)cc23)cs1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.35
CPT2 P23786 3/20 0.33
CPT1A P50416 3/20 0.33
CPT1B Q92523 1/20 0.33
HTR6 P50406 4/20 0.31
ATP4A P20648 2/20 0.31
ATP4B P51164 2/20 0.31
PTPN11 Q06124 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
SUV39H2 Q9H5I1 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL1801425 0.90 BRD4 (0.36) BRD4HTR6PTPN11SUV39H2
SCHEMBL1801618 0.86 BRD4 (0.46) BRD4ATP4AATP4BPTPN11SUV39H2
SCHEMBL12652263 0.85 SUV39H2 (0.32) SUV39H2
SCHEMBL1797528 0.84 BRD4 (0.34) BRD4CPT2CPT1ACPT1BHTR6
SCHEMBL1799532 0.82 HTR2C (0.36) BRD4PTPN11MEN1USP2HTT
SCHEMBL1798773 0.82 PDPK1 (0.36) BRD4ATP4AATP4BPTPN11SUV39H2
SCHEMBL4555856 0.81 BRD4 (0.36) BRD4HTR6PTPN11SUV39H2
SCHEMBL1799966 0.80 CPT1A (0.37) BRD4CPT2CPT1ACPT1BHTR6
SCHEMBL2753133 0.79 PDPK1 (0.42) BRD4HTR6PTPN11SUV39H2
SCHEMBL1801394 0.79 BRD4 (0.35) BRD4HTR6PTPN11SUV39H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951802-B2 Use of 7-azaindoles in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-31 US disclosed
US-7951802-B2 Use of 7-azaindoles in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-31 US disclosed
US-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 US disclosed
US-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 US disclosed
WO-2008095943-A1 THE USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO. LTD. (JP) 2008-08-14 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 (1 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-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPKAPK5, MAPK13 BRD4 728/4885CPT2 3722/4885CPT1A 2727/4885

“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.