SCHEMBL2126398

SCHEMBL2126398

Fc1ccc(Br)cc1-c1nc(Nc2ccccc2)c2nccnc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.64
PRKD3 O94806 2/20 0.64
PRKD2 Q9BZL6 2/20 0.64
PRKD1 Q15139 1/20 0.64
KDR P35968 3/20 0.46
FLT1 P17948 2/20 0.46
FLT4 P35916 2/20 0.46
MAPK8 P45983 2/20 0.46
MAPK9 P45984 2/20 0.46
MAPK10 P53779 1/20 0.46
TDP1 Q9NUW8 1/20 0.42
ABCG2 Q9UNQ0 9/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PLK4 O00444 1/20 0.36
AURKA O14965 1/20 0.36
PDPK1 O15530 1/20 0.36
JAK2 O60674 1/20 0.36
MAP4K4 O95819 1/20 0.36
NTRK1 P04629 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
SCHEMBL2128085 0.91 TGFBR1 (0.77) TGFBR1PRKD3PRKD2PRKD1KDR
SCHEMBL2126260 0.84 TGFBR1 (0.51) TGFBR1PRKD3PRKD2PRKD1KDR
SCHEMBL2128905 0.84 TGFBR1 (0.59) TGFBR1PRKD3PRKD2PRKD1KDR
SCHEMBL2128086 0.82 TGFBR1 (0.56) TGFBR1PRKD3PRKD2PRKD1KDR
SCHEMBL24744356 0.79 TGFBR1 (0.77) TGFBR1PRKD3PRKD2PRKD1KDR
SCHEMBL14344430 0.79 TGFBR1 (0.80) TGFBR1PRKD3PRKD2PRKD1KDR
SCHEMBL3669946 0.78 TGFBR1 (0.44) TGFBR1PRKD3PRKD2PRKD1KDR
SCHEMBL2128877 0.78 TGFBR1 (0.54) TGFBR1PRKD3PRKD2PRKD1KDR
SCHEMBL2128108 0.78 TGFBR1 (0.48) TGFBR1PRKD3PRKD2PRKD1KDR
SCHEMBL14344357 0.78 TGFBR1 (0.72) TGFBR1PRKD3PRKD2PRKD1TDP1

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 28 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
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
CN-101171014-B Pteridines useful as HCV inhibitors and methods for the preparation thereof TIBOTEC PHARMACEUTICALS LTD. (IE) 2012-02-15 CN 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
CN-101171014-A Pteridines useful as HCV inhibitors and methods for the preparation thereof TIBOTEC PHARM LTD (IE) 2008-04-30 CN 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 2630/4885PRKD2 2794/4885
US-20160158238-A1 Pteridines Useful As HCV Inhibitors And Methods For The Preparation Thereof HCCS, HAVCR2, MAVS TGFBR1 4569/4885PRKD3 2630/4885PRKD2 2794/4885
US-20090156595-A1 Pteridines useful as HCV inhibitors and methods for the preparation thereof HCCS, HAVCR2, MAVS TGFBR1 4569/4885PRKD3 2630/4885PRKD2 2794/4885

“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.