SCHEMBL897906

SCHEMBL897906

CC1(C)c2cc(O)ccc2C(=O)c2c1[nH]c1ccc([N+](=O)[O-])cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 4/20 0.52
CCNE1 P24864 3/20 0.47
CDK2 P24941 3/20 0.47
FLT3 P36888 2/20 0.47
IKBKB O14920 1/20 0.47
AURKA O14965 1/20 0.47
NTRK1 P04629 1/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
CDK5 Q00535 2/20 0.46
CDK5R1 Q15078 2/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
FASN P49327 1/20 0.44
WEE1 P30291 1/20 0.44
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 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
SCHEMBL898301 0.84 ALK (0.59) ALKCCNE1CDK2CDK1CCNB1
SCHEMBL16775846 0.83 ALK (0.47) ALKFLT3CDK5CDK5R1GSK3A
SCHEMBL20004303 0.81 ALK (0.43) ALKWEE1
SCHEMBL897732 0.79 ALK (0.60) ALK
SCHEMBL897636 0.76 ALK (0.62) ALK
SCHEMBL1755913 0.75 ALK (0.52) ALK
SCHEMBL897322 0.75 ALK (0.59) ALK
SCHEMBL897755 0.75 ALK (0.52) ALK
SCHEMBL897318 0.75 ALK (0.62) ALK
SCHEMBL7811147 0.75 ALK (0.46) 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 20 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
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 1/4885CCNE1 706/4885CDK2 312/4885
US-20120083488-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 ALK 1/4885CCNE1 706/4885CDK2 312/4885
US-20220306578-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 ALK 1/4885CCNE1 706/4885CDK2 312/4885
US-20160340308-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 ALK 1/4885CCNE1 706/4885CDK2 312/4885
US-20150150845-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 ALK 1/4885CCNE1 706/4885CDK2 312/4885

“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.