SCHEMBL17576245

SCHEMBL17576245

Cc1ccc(N2CCC=C(N3CCOCC3)C2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.44
▸ MAPT P10636 9/20 0.43
▸ TP53 P04637 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ USP2 O75604 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ HPGD P15428 1/20 0.43
▸ GAA P10253 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL15731795 0.87 PIK3R1 (0.39) MAPTTP53NPC1RAB9AMAPK1
SCHEMBL8357983 0.87 ALDH1A1 (0.41) MAPTNPC1RAB9APKMALDH1A1
SCHEMBL6330031 0.86 KMT2A (0.49) AKR1C3MAPTNPC1RAB9AMAPK1
SCHEMBL29483984 0.86 RAD51 (0.51) AKR1C3MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1919863 0.86 AKR1C3 (0.44) AKR1C3MAPTTP53NPC1RAB9A
SCHEMBL20050092 0.86 ALDH1A1 (0.42) MAPTTP53NPC1RAB9AUSP2
SCHEMBL8360878 0.85 DRD2 (0.43) MAPTNPC1RAB9APKMALDH1A1
SCHEMBL186752 0.85 LMNA (0.51) AKR1C3MAPTNPC1RAB9AMAPK1
SCHEMBL21890845 0.85 RPS6KA3 (0.40) MAPTTP53NPC1RAB9AMAPK1
SCHEMBL20694863 0.84 GSK3B (0.39) —

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 5 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-20170313695-A1 PROCESS FOR THE PREPARATION OF APIXABAN OPTIMUS DRUGS PRIVATE LIMITED (IN) 2017-11-02 — — US disclosed
US-20170313695-A1 PROCESS FOR THE PREPARATION OF APIXABAN OPTIMUS DRUGS PRIVATE LIMITED (IN) 2017-11-02 — — US disclosed
US-9718779-B2 Intermediate and polymorphs of 1-(4-methoxypheny1)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetra hydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide and process thereof MSN LABORATORIES LIMITED (IN) 2017-08-01 — — US disclosed
WO-2016035007-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF UNICHEM LABORATORIES LIMITED (IN) 2016-03-10 — — 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 (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-20170313695-A1 PROCESS FOR THE PREPARATION OF APIXABAN VKORC1, VKORC1L1, CYP4X1 AKR1C3 236/4885MAPT 4792/4885TP53 4851/4885
US-10590133-B2 Dimer impurities of Apixaban and method to remove them F2, FGB, F8 AKR1C3 2136/4885MAPT 4678/4885TP53 3941/4885

“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.

Send feedback