SCHEMBL2128086

SCHEMBL2128086

Fc1ccc(Br)cc1-c1nc(Nc2ccc(N3CCOCC3)cc2)c2nccnc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.56
PRKD3 O94806 1/20 0.56
PRKD1 Q15139 1/20 0.56
PRKD2 Q9BZL6 1/20 0.56
MAPT P10636 3/20 0.49
HTT P42858 2/20 0.49
MAPK1 P28482 1/20 0.49
AHR P35869 1/20 0.49
SYK P43405 4/20 0.47
MAPK8 P45983 2/20 0.46
MAPK10 P53779 2/20 0.46
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
MAPK9 P45984 1/20 0.46
PLK4 O00444 5/20 0.44
TLR9 Q9NR96 1/20 0.42
IGF1R P08069 1/20 0.42
SRC P12931 1/20 0.41
BTK Q06187 3/20 0.40

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
SCHEMBL2126398 0.82 TGFBR1 (0.64) TGFBR1PRKD3PRKD1PRKD2SYK
SCHEMBL2128085 0.82 TGFBR1 (0.77) TGFBR1PRKD3PRKD1PRKD2MAPT
SCHEMBL27712147 0.78 PRKD3 (0.52) TGFBR1PRKD3PRKD1PRKD2
SCHEMBL2128905 0.76 TGFBR1 (0.59) TGFBR1PRKD3PRKD1PRKD2MAPK8
SCHEMBL2126260 0.72 TGFBR1 (0.51) TGFBR1PRKD3PRKD1PRKD2MAPT
SCHEMBL29361383 0.72 TGFBR1 (1.00) TGFBR1PRKD3PRKD1PRKD2MAPT
SCHEMBL29381400 0.72 TGFBR1 (1.00) TGFBR1PRKD3PRKD1PRKD2MAPT
SCHEMBL24744356 0.71 TGFBR1 (0.77) TGFBR1PRKD3PRKD1PRKD2MAPT
SCHEMBL27712145 0.71 TGFBR1 (0.35) TGFBR1PRKD3PRKD1PRKD2MAPK1
SCHEMBL2128877 0.71 TGFBR1 (0.54) TGFBR1PRKD3PRKD1PRKD2MAPK8

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951075-B2 Pteridines useful as HCV inhibitors and methods for the preparation thereof JANSSEN SCIENCES IRELAND UC (IE) 2018-04-24 US disclosed
US-9951075-B2 Pteridines useful as HCV inhibitors and methods for the preparation thereof JANSSEN SCIENCES IRELAND UC (IE) 2018-04-24 US disclosed
US-9951075-B2 Pteridines useful as HCV inhibitors and methods for the preparation thereof JANSSEN SCIENCES IRELAND UC (IE) 2018-04-24 US disclosed
US-20170275288-A1 PTERIDINES USEFUL AS HCV INHIBITORS AND METHODS FOR THE PREPARATION THEREOF JANSSEN SCIENCES IRELAND UC (IE) 2017-09-28 US disclosed
US-20170275288-A1 PTERIDINES USEFUL AS HCV INHIBITORS AND METHODS FOR THE PREPARATION THEREOF JANSSEN SCIENCES IRELAND UC (IE) 2017-09-28 US disclosed
US-20170275288-A1 PTERIDINES USEFUL AS HCV INHIBITORS AND METHODS FOR THE PREPARATION THEREOF JANSSEN SCIENCES IRELAND UC (IE) 2017-09-28 US disclosed
US-9708328-B2 Pteridines useful as HCV inhibitors and methods for the preparation thereof JANSSEN SCIENCES IRELAND UC (IE) 2017-07-18 US disclosed
US-9708328-B2 Pteridines useful as HCV inhibitors and methods for the preparation thereof JANSSEN SCIENCES IRELAND UC (IE) 2017-07-18 US disclosed
US-9708328-B2 Pteridines useful as HCV inhibitors and methods for the preparation thereof JANSSEN SCIENCES IRELAND UC (IE) 2017-07-18 US disclosed
US-20160158238-A1 Pteridines Useful As HCV Inhibitors And Methods For The Preparation Thereof Janssen Sciencies Ireland UC (IE) 2016-06-09 US disclosed
US-9290502-B2 Pteridines useful as HCV inhibitors and methods for the preparation thereof JANSSEN SCIENCES IRELAND UC (IE) 2016-03-22 US disclosed
US-9290502-B2 Pteridines useful as HCV inhibitors and methods for the preparation thereof JANSSEN SCIENCES IRELAND UC (IE) 2016-03-22 US disclosed
EP-1881834-B1 PTERIDINES USEFUL AS HCV INHIBITORS AND METHODS FOR THE PREPARATION THEREOF JANSSEN R & D IRELAND (IE) 2012-04-25 EP disclosed
EP-1881834-B1 PTERIDINES USEFUL AS HCV INHIBITORS AND METHODS FOR THE PREPARATION THEREOF JANSSEN R & D IRELAND (IE) 2012-04-25 EP disclosed
US-20090156595-A1 Pteridines useful as HCV inhibitors and methods for the preparation thereof TIBOTEC PHARMACEUTICALS LTD. (IE) 2009-06-18 US disclosed
US-20090156595-A1 Pteridines useful as HCV inhibitors and methods for the preparation thereof TIBOTEC PHARMACEUTICALS LTD. (IE) 2009-06-18 US disclosed
US-20090156595-A1 Pteridines useful as HCV inhibitors and methods for the preparation thereof TIBOTEC PHARMACEUTICALS LTD. (IE) 2009-06-18 US disclosed
EP-1881834-A1 PTERIDINES USEFUL AS HCV INHIBITORS AND METHODS FOR THE PREPARATION THEREOF Tibotec Pharmaceuticals Ltd. (IE) 2008-01-30 EP disclosed
WO-2006120251-A1 PTERIDINES USEFUL AS HCV INHIBITORS AND METHODS FOR THE PREPARATION THEREOF TIBOTEC PHARMACEUTICALS LTD. (IE) 2006-11-16 WO disclosed
WO-2006120251-A1 PTERIDINES USEFUL AS HCV INHIBITORS AND METHODS FOR THE PREPARATION THEREOF TIBOTEC PHARMACEUTICALS LTD. (IE) 2006-11-16 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 (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-20170275288-A1 PTERIDINES USEFUL AS HCV INHIBITORS AND METHODS FOR THE PREPARATION THEREOF HCCS, HAVCR2, MAVS TGFBR1 4569/4885PRKD3 2630/4885PRKD1 2798/4885
US-20160158238-A1 Pteridines Useful As HCV Inhibitors And Methods For The Preparation Thereof HCCS, HAVCR2, MAVS TGFBR1 4569/4885PRKD3 2630/4885PRKD1 2798/4885
US-20090156595-A1 Pteridines useful as HCV inhibitors and methods for the preparation thereof HCCS, HAVCR2, MAVS TGFBR1 4569/4885PRKD3 2630/4885PRKD1 2798/4885

“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.