SCHEMBL897218

SCHEMBL897218

CC(C)(O)c1cc2ccc(C#N)cc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
CSNK1D P48730 5/20 0.47
CSNK1G2 P78368 4/20 0.47
CSNK1A1 P48729 3/20 0.47
GSK3B P49841 3/20 0.47
IMPDH2 P12268 1/20 0.45
IMPDH1 P20839 1/20 0.45
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
ITK Q08881 1/20 0.42
PIN1 Q13526 1/20 0.40
RET P07949 1/20 0.40
CFB P00751 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37

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
SCHEMBL21754663 0.87 IMPDH2 (0.47) L3MBTL1CSNK1DCSNK1G2CSNK1A1GSK3B
SCHEMBL28129157 0.80 IMPDH2 (0.47) L3MBTL1IMPDH2IMPDH1NR3C1PGR
SCHEMBL19687575 0.80 DAO (0.50) NR3C1PGRNR3C2ITK
SCHEMBL1755910 0.75 HRH4 (0.41) L3MBTL1
SCHEMBL5728507 0.74 ITK (0.50) CSNK1DCSNK1G2CSNK1A1GSK3BIMPDH2
SCHEMBL13662153 0.73 IMPDH2 (0.51) L3MBTL1CSNK1DCSNK1G2CSNK1A1GSK3B
SCHEMBL5692312 0.72 AHR (0.56) L3MBTL1
SCHEMBL14842525 0.71 NR3C1 (0.38) L3MBTL1CSNK1DCSNK1G2CSNK1A1GSK3B
SCHEMBL10066494 0.71 ITK (0.45) L3MBTL1CSNK1DCSNK1G2CSNK1A1GSK3B
SCHEMBL3653942 0.71 GABRA1 (0.43) L3MBTL1CSNK1DCSNK1G2CSNK1A1GSK3B

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 29 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-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-3345903-A1 TETRACYCLIC COMPOUNDS Chugai Seiyaku Kabushiki Kaisha (JP) 2018-07-11 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
CN-102459172-B Tetracyclic compound CHUGAI PHARMACEUTICAL CO LTD 2015-06-24 CN 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
CN-102459172-A Tetracyclic compounds CHUGAI PHARMACEUTICAL CO LTD 2012-05-16 CN 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 L3MBTL1 200/4885CSNK1D 2925/4885CSNK1G2 2927/4885
US-20120083488-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 L3MBTL1 200/4885CSNK1D 2925/4885CSNK1G2 2927/4885
US-20220306578-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 L3MBTL1 200/4885CSNK1D 2925/4885CSNK1G2 2927/4885
US-20150150845-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 L3MBTL1 200/4885CSNK1D 2925/4885CSNK1G2 2927/4885

“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.