SCHEMBL897634

SCHEMBL897634

COc1ccc2c(c1[N+](=O)[O-])C(C)(C)c1[nH]c3cc(Br)ccc3c1C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 6/20 0.42
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
BLM P54132 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GSK3B P49841 5/20 0.36
CCNB2 O95067 4/20 0.35
CDK1 P06493 4/20 0.35
CCNB1 P14635 4/20 0.35
CDK5 Q00535 4/20 0.35
CDK5R1 Q15078 4/20 0.35
CCNB3 Q8WWL7 4/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 1/20 0.35
APAF1 O14727 1/20 0.35
POLB P06746 1/20 0.35
GRK2 P25098 1/20 0.35
S100A4 P26447 1/20 0.35
CASP6 P55212 1/20 0.35

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
SCHEMBL7807733 0.91 ALK (0.42) ALKGSK3BCCNB2CDK1CCNB1
SCHEMBL20004201 0.84 ALK (0.43) ALKGSK3BCCNB2CDK1CCNB1
SCHEMBL16775627 0.84 ALK (0.43) ALKALDH1A1GSK3BCCNB2CDK1
SCHEMBL897277 0.83 ALK (0.45) ALKGSK3BCCNB2CDK1CCNB1
SCHEMBL20004200 0.82 ALK (0.42) ALKMAPTBLMTDP1GSK3B
SCHEMBL1755783 0.80 ALK (0.41) ALKGSK3BCCNB2CDK1CCNB1
SCHEMBL896997 0.80 ALK (0.53) ALK
SCHEMBL897744 0.76 ALK (0.50) ALKGSK3BCCNB2CDK1CCNB1
SCHEMBL16775676 0.75 ALK (0.47) ALKMAPTKDM4EGSK3BCCNB2
SCHEMBL27087566 0.75 ALK (0.47) 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 1/4885MAPT 68/4885KDM4E 903/4885
US-20120083488-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 ALK 1/4885MAPT 68/4885KDM4E 903/4885
US-20220306578-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 ALK 1/4885MAPT 68/4885KDM4E 903/4885
US-20160340308-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 ALK 1/4885MAPT 68/4885KDM4E 903/4885
US-20150150845-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 ALK 1/4885MAPT 68/4885KDM4E 903/4885

“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.