SCHEMBL897277

SCHEMBL897277

COc1cc2c(cc1[N+](=O)[O-])Cc1c([nH]c3cc(Br)ccc13)C2(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 10/20 0.45
EGFR P00533 1/20 0.36
GSK3B P49841 5/20 0.34
CCNB2 O95067 4/20 0.34
CDK1 P06493 4/20 0.34
CCNB1 P14635 4/20 0.34
CDK5 Q00535 4/20 0.34
CDK5R1 Q15078 4/20 0.34
CCNB3 Q8WWL7 4/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
NQO2 P16083 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
SIRT6 Q8N6T7 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
SCHEMBL897744 0.84 ALK (0.50) ALKGSK3BCCNB2CDK1CCNB1
SCHEMBL16775676 0.83 ALK (0.47) ALKGSK3BCCNB2CDK1CCNB1
SCHEMBL897634 0.83 ALK (0.42) ALKGSK3BCCNB2CDK1CCNB1
SCHEMBL27087566 0.82 ALK (0.47) ALKGSK3BCCNB2CDK1CCNB1
SCHEMBL27087539 0.82 ALK (0.48) ALKGSK3BCCNB2CDK1CCNB1
SCHEMBL897158 0.81 ALK (0.46) ALKGSK3BCCNB2CDK1CCNB1
SCHEMBL27087629 0.81 ALK (0.45) ALKGSK3BCCNB2CDK1CCNB1
SCHEMBL25446306 0.80 ALK (0.43) ALKGSK3BCCNB2CDK1CCNB1
SCHEMBL896702 0.80 ALK (0.61) ALK
SCHEMBL1755813 0.80 ALK (0.44) ALKGSK3BCCNB2CDK1CCNB1

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 14 patents. 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-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-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
US-20160340308-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-24 US disclosed
US-9440922-B2 Tetracyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-09-13 US disclosed
EP-2441753-B1 TETRACYCLIC COMPOUND CHUGAI PHARMACEUTICAL CO LTD (JP) 2016-03-30 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-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
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 (5 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 ALK 1/4885EGFR 116/4885GSK3B 666/4885
US-20120083488-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 ALK 1/4885EGFR 116/4885GSK3B 666/4885
US-20220306578-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 ALK 1/4885EGFR 116/4885GSK3B 666/4885
US-20160340308-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 ALK 1/4885EGFR 116/4885GSK3B 666/4885
US-20150150845-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 ALK 1/4885EGFR 116/4885GSK3B 666/4885

“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.