SCHEMBL996913

SCHEMBL996913

CCc1csc(-c2ccc(C(F)(F)F)cc2N)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 2/20 0.49
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 4/20 0.41
TP53 P04637 3/20 0.41
FEN1 P39748 1/20 0.40
POLB P06746 1/20 0.38
MAPT P10636 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EPHX2 P34913 1/20 0.37
SCN4A P35499 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.36
LTA4H P09960 1/20 0.36
HEXA P06865 1/20 0.36
HEXB P07686 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
RHOC P08134 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
SCHEMBL16629821 0.82 CTSS (0.47) MPLNPSR1LMNATP53POLB
SCHEMBL997139 0.81 MPL (0.49) MPLNPSR1FEN1POLBMAPT
SCHEMBL995982 0.79 EIF4E (0.43) NPSR1LMNAMAPTKDM4EALDH1A1
SCHEMBL996557 0.79 SREBF2 (0.43) NPSR1LMNATP53POLBMAPT
SCHEMBL2056125 0.79 TP53 (0.55) LMNATP53POLBMAPTHTT
SCHEMBL996617 0.78 MPL (0.47) MPLNPSR1FEN1MAPTL3MBTL1
SCHEMBL996974 0.77 MPL (0.46) MPLNPSR1FEN1L3MBTL1EPHX2
SCHEMBL6205528 0.74 SMN1; SMN2 (0.39) LMNAPOLBMAPTL3MBTL1KDM4E
SCHEMBL6226222 0.73 ALDH1A1 (0.47) MPLNPSR1LMNAPOLBMAPT
SCHEMBL996771 0.73 FEN1 (0.41) MPLLMNAFEN1MAPTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919898-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2011-01-26 EP disclosed
EP-1919898-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2011-01-26 EP disclosed
US-7666834-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-02-23 US disclosed
US-7666834-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-02-23 US disclosed
US-7666834-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-02-23 US disclosed
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-04-23 US disclosed
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-04-23 US disclosed
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-04-23 US disclosed
CN-101273027-A Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARM LTD (IE) 2008-09-24 CN disclosed
EP-1919898-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Tibotec Pharmaceuticals Ltd. (IE) 2008-05-14 EP disclosed
WO-2007014922-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014922-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 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 (1 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-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus HCCS, CBR1, CYP2B6 MPL 2369/4885NPSR1 854/4885LMNA 2754/4885

“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.