Sugi Predict

Sugi Predict / Compounds / SCHEMBL2082116

SCHEMBL2082116

SCHEMBL2082116

Cc1c(F)cc(N)c2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 6/20 0.42
▸ TOP2B Q02880 6/20 0.42
▸ GSK3B P49841 2/20 0.40
▸ KCNH2 Q12809 4/20 0.39
▸ POLB P06746 2/20 0.39
▸ CACNA1F O60840 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CACNA1D Q01668 1/20 0.39
▸ CACNA1S Q13698 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36

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
SCHEMBL27564237 1.00 TOP2A (0.42) TOP2ATOP2BGSK3BKCNH2POLB
SCHEMBL2082114 1.00 TOP2A (0.42) TOP2ATOP2BGSK3BKCNH2POLB
SCHEMBL2081924 0.87 TOP2A (0.41) TOP2ATOP2BGSK3BKCNH2POLB
SCHEMBL2081925 0.87 TOP2A (0.41) TOP2ATOP2BGSK3BKCNH2POLB
SCHEMBL2078701 0.86 STAT3 (0.43) CYP3A4KDM4ESMN1; SMN2CYP1A2KMT2A
SCHEMBL2078703 0.86 STAT3 (0.43) CYP3A4KDM4ESMN1; SMN2CYP1A2KMT2A
SCHEMBL2083988 0.86 CYP3A4 (0.47) TOP2ATOP2BGSK3BKCNH2POLB
SCHEMBL2083990 0.86 CYP3A4 (0.47) TOP2ATOP2BGSK3BKCNH2POLB
SCHEMBL5236368 0.83 GSK3B (0.50) TOP2ATOP2BGSK3BKCNH2POLB
SCHEMBL501142 0.83 GSK3B (0.50) TOP2ATOP2BGSK3BKCNH2POLB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902226-B2 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 — — US disclosed
EP-1336611-B1 DEHALOGENO COMPOUNDS DAIICHI SEIYAKU CO (JP) 2007-09-05 — — EP disclosed
US-20070123560-A1 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. 2007-05-31 — — US disclosed
CN-1269817-C Dehalogenated compounds DAIICHI SEIYAKU CO (JP) 2006-08-16 — — CN disclosed
US-20040063754-A1 Dehalogeno compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 — — US disclosed
CN-1486315-A Dehalogenated compounds ��һ��������ҩ��ʽ���� 2004-03-31 — — CN disclosed
EP-1336611-A1 DEHALOGENO COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-08-20 — — EP 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 (2 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-20040063754-A1 Dehalogeno compounds DEK, PGLS, RPS27L TOP2A 376/4885TOP2B 1092/4885GSK3B 4077/4885
US-20070123560-A1 Dehalogeno-compounds DEK, RPS27L, POLL TOP2A 228/4885TOP2B 555/4885GSK3B 4018/4885

“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.