SCHEMBL6804751

SCHEMBL6804751

Nc1cccnc1Nc1cccc(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.59
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
POLB P06746 1/20 0.52
LRRK2 Q5S007 1/20 0.51
FFAR4 Q5NUL3 2/20 0.49
KMT2A Q03164 3/20 0.49
KEAP1 Q14145 2/20 0.49
IL1RN P18510 1/20 0.47
ERAP1 Q9NZ08 1/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
PIK3CB P42338 1/20 0.46
GAA P10253 1/20 0.46
NAT1 P18440 1/20 0.45

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
SCHEMBL6797500 0.81 MAPT (0.58) HTR6CA2CA12CA9LRRK2
SCHEMBL19851118 0.77 CA12 (0.63) CA1CA2CA12CA9LRRK2
SCHEMBL1859867 0.77 CA12 (0.63) CA1CA2CA12CA9LRRK2
SCHEMBL9001184 0.77 KEAP1 (0.79) HTR6POLBKMT2AKEAP1IL1RN
SCHEMBL30269605 0.76 CA12 (0.49) CA1CA2CA12CA9KMT2A
SCHEMBL6795594 0.76 CA12 (0.49) CA1CA2CA12CA9KMT2A
SCHEMBL6804491 0.76 CA12 (0.51) CA1CA2CA12CA9KMT2A
SCHEMBL2723618 0.76 HTR6 (1.00) HTR6CA1CA2POLBFFAR4
SCHEMBL9479782 0.76 MEN1 (0.67) HTR6CA1CA2CA12CA9
SCHEMBL7006004 0.75 TUBB4A (0.60) KMT2AKEAP1IL1RNERAP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6727245-B2 4-(HETERO)ARYL-3-OXO-3,4-DIHYDROPYRIDO(2,3-B)PYRAZINE DERIVATIVES; PROPHYLACTIC OR THERAPEUTIC TREATMENT OF PHOSPHODIESTERASE IV AND TUMOR NECROSIS FACTOR MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-27 US disclosed
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP disclosed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US disclosed
CN-1250776-A Heterodicyclic compound derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN disclosed
CN-1051548-C Heterobicyclic derivatives, pharmaceutical compositions containing them, process for preparing them and their use FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 EP disclosed
CN-1157617-A Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 CN disclosed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 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-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 HTR6 175/4885CA1 3131/4885CA2 571/4885

“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.