SCHEMBL20102793

SCHEMBL20102793

CC1CN(C2=CCCN(c3ccc(/N=N/c4ccc(N5CCC=C(N6CCOCC6)C5=O)cc4)cc3)C2=O)CCO1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.35
▸ NR3C2 P08235 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ PRKDC P78527 1/20 0.32
▸ GAA P10253 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RAD52 P43351 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ ATR Q13535 2/20 0.32
▸ ATRIP Q8WXE1 2/20 0.32

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
SCHEMBL18058748 0.88 GSK3B (0.39) GSK3B
SCHEMBL20694863 0.88 GSK3B (0.39) GSK3B
SCHEMBL20102796 0.86 NR3C2 (0.31) NR3C2
SCHEMBL18058838 0.79 MEN1 (0.36) PIK3CAMAPTKMT2AALDH1A1
SCHEMBL18058759 0.78 S100A4 (0.34) MAPTKMT2AALDH1A1
SCHEMBL18410353 0.77 GSK3B (0.34) GSK3BMAPTKMT2AALDH1A1
SCHEMBL17576245 0.76 AKR1C3 (0.44) GAAMAPTPKMMAPK1KMT2A
SCHEMBL15731795 0.75 PIK3R1 (0.39) PIK3CAMTORGAAMAPTMAPK1
SCHEMBL1919863 0.74 AKR1C3 (0.44) MAPTKMT2AALDH1A1
SCHEMBL29483984 0.74 RAD51 (0.51) PRKDCMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590133-B2 Dimer impurities of Apixaban and method to remove them F.I.S.-FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2020-03-17 — — US disclosed
US-10385049-B2 Dimer impurities of apixaban and method to remove them F.I.S.—Fabbrica Italiana Sintetici S.p.A. (IT) 2019-08-20 — — US disclosed
US-20180118737-A1 DIMER IMPURITIES OF APIXABAN AND METHOD TO REMOVE THEM F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2018-05-03 — — 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 (3 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-10590133-B2 Dimer impurities of Apixaban and method to remove them F2, FGB, F8 GSK3B 893/4885NR3C2 4402/4885PIK3CA 2209/4885
US-10385049-B2 Dimer impurities of apixaban and method to remove them F2, FGB, F8 GSK3B 893/4885NR3C2 4402/4885PIK3CA 2209/4885
US-20180118737-A1 DIMER IMPURITIES OF APIXABAN AND METHOD TO REMOVE THEM F2, FGB, F8 GSK3B 893/4885NR3C2 4402/4885PIK3CA 2209/4885

“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.

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