SCHEMBL897113

SCHEMBL897113

CS(=O)(=O)Nc1cc(C#N)ccc1Br

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.47
SLC22A12 Q96S37 3/20 0.47
NR3C1 P04150 3/20 0.41
CXCR2 P25025 2/20 0.40
CXCR1 P25024 1/20 0.40
BACE1 P56817 1/20 0.40
PGR P06401 4/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
NR3C2 P08235 2/20 0.37
AR P10275 1/20 0.37
TNIK Q9UKE5 1/20 0.37
ALK Q9UM73 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.36
ADRB3 P13945 1/20 0.36
FASN P49327 1/20 0.36
IDO1 P14902 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
SCHEMBL9340013 0.81 PARP14 (0.48) PARP14SLC22A12NR3C1PGRCA1
SCHEMBL9340017 0.80 ADRA2A (0.51) PARP14SLC22A12NR3C1CXCR2CA1
SCHEMBL29467983 0.80 ACLY (0.52) PARP14SLC22A12NR3C1PGRCA1
SCHEMBL10208423 0.80 ACLY (0.52) PARP14SLC22A12NR3C1PGRCA1
SCHEMBL4593012 0.78 TNIK (0.48) PARP14SLC22A12NR3C1PGRCA1
SCHEMBL16064368 0.77 CXCR2 (0.42) CXCR2CXCR1
SCHEMBL6389949 0.77 SLC22A12 (0.47) PARP14SLC22A12NR3C1PGRCA1
SCHEMBL4641810 0.77 SLC22A12 (0.54) PARP14SLC22A12NR3C1PGRCA1
SCHEMBL2005491 0.77 SLC22A12 (0.47) PARP14SLC22A12NR3C1PGR
SCHEMBL23141220 0.76 MAP2K1 (0.50) PARP14SLC22A12NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142119-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-11 US disclosed
US-20230142119-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-11 US disclosed
US-20220306578-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-09-29 US disclosed
US-20220306578-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-09-29 US disclosed
EP-3613729-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-02-26 EP disclosed
EP-3345903-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2019-10-09 EP disclosed
EP-3345903-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2019-10-09 EP disclosed
EP-3345903-A1 TETRACYCLIC COMPOUNDS Chugai Seiyaku Kabushiki Kaisha (JP) 2018-07-11 EP disclosed
EP-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed
EP-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed
EP-2975024-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-20 EP disclosed
EP-2975024-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-20 EP disclosed
US-9126931-B2 Tetracyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-09-08 US disclosed
US-9126931-B2 Tetracyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-09-08 US disclosed
US-20150150845-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-06-04 US disclosed
US-20150150845-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-06-04 US disclosed
EP-2441753-A1 TETRACYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2012-04-18 EP disclosed
EP-2441753-A1 TETRACYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2012-04-18 EP disclosed
US-20120083488-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA 2012-04-05 US disclosed
US-20120083488-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA 2012-04-05 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 (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-20230142119-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 PARP14 4849/4885SLC22A12 1472/4885NR3C1 393/4885
US-20120083488-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 PARP14 4849/4885SLC22A12 1472/4885NR3C1 393/4885
US-20220306578-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 PARP14 4849/4885SLC22A12 1472/4885NR3C1 393/4885
US-20150150845-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 PARP14 4849/4885SLC22A12 1472/4885NR3C1 393/4885

“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.