SCHEMBL897992

SCHEMBL897992

COc1ccc2c(c1)C1(CCOCC1)c1[nH]c3cc(Br)ccc3c1C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
ALK Q9UM73 6/20 0.40
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA4 P22748 3/20 0.38
CA6 P23280 3/20 0.38
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
GSK3B P49841 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
KDM4E B2RXH2 2/20 0.35
PSMD14 O00487 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34

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
SCHEMBL29962609 1.00 CDK4 (0.40) CDK4CCND1ALKCA1CA2
SCHEMBL897223 0.90 CDK4 (0.42) CDK4CCND1ALKCA1CA2
SCHEMBL896972 0.83 CDK4 (0.46) CDK4CCND1ALKCA1CA2
SCHEMBL898035 0.80 CA1 (0.38) ALKCA1CA2CA4CA6
SCHEMBL29962582 0.80 ALK (0.58) CDK4CCND1ALK
SCHEMBL897497 0.80 ALK (0.58) CDK4CCND1ALK
SCHEMBL20366653 0.76 OPRM1 (0.34) ALKCCNB2CDK1CCNB1GSK3B
SCHEMBL21443143 0.76 CDK4 (0.39) CDK4CCND1ALKCA1CA2
SCHEMBL14990506 0.75 CA1 (0.41) CDK4CCND1ALKCA1CA2
SCHEMBL21443149 0.74 CHEK1 (0.34) ALKCA1CA2CA4CA6

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 10 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-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
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
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
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 CDK4 488/4885CCND1 631/4885ALK 1/4885
US-20120083488-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 CDK4 488/4885CCND1 631/4885ALK 1/4885
US-20220306578-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 CDK4 488/4885CCND1 631/4885ALK 1/4885
US-20160340308-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 CDK4 488/4885CCND1 631/4885ALK 1/4885
US-20150150845-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 CDK4 488/4885CCND1 631/4885ALK 1/4885

“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.