SCHEMBL898301

SCHEMBL898301

COc1ccc2c(c1)C(C)(C)c1[nH]c3ccc([N+](=O)[O-])cc3c1C2=O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 14/20 0.59
CTSV O60911 1/20 0.59
CTSL P07711 1/20 0.59
CCNB2 O95067 2/20 0.53
CDK1 P06493 2/20 0.53
CCNB1 P14635 2/20 0.53
GSK3B P49841 2/20 0.53
CDK5 Q00535 2/20 0.53
CDK5R1 Q15078 2/20 0.53
CCNB3 Q8WWL7 2/20 0.53
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
TDP1 Q9NUW8 2/20 0.43

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
SCHEMBL897906 0.84 ALK (0.52) ALKCTSVCTSLCDK1CCNB1
SCHEMBL17066406 0.84 ALK (0.54) ALK
SCHEMBL897599 0.82 ALK (0.56) ALK
SCHEMBL29962607 0.82 ALK (0.56) ALK
SCHEMBL20004769 0.81 ALK (0.52) ALK
SCHEMBL17434689 0.80 ALK (0.57) ALK
SCHEMBL897480 0.80 ALK (0.67) ALK
SCHEMBL897276 0.79 CTSV (0.57) CTSVCTSLCCNB2CDK1CCNB1
SCHEMBL898475 0.77 ALK (0.59) ALK
SCHEMBL29962681 0.77 ALK (0.59) ALK

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 19 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-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-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-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
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
WO-2010143664-A1 TETRACYCLIC COMPOUND 中外製薬株式会社 (JP) 2010-12-16 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 (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 1/4885CTSV 4269/4885CTSL 2555/4885
US-20120083488-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 ALK 1/4885CTSV 4269/4885CTSL 2555/4885
US-20220306578-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 ALK 1/4885CTSV 4269/4885CTSL 2555/4885
US-20160340308-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 ALK 1/4885CTSV 4269/4885CTSL 2555/4885
US-20150150845-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 ALK 1/4885CTSV 4269/4885CTSL 2555/4885

“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.