SCHEMBL2127007

SCHEMBL2127007

O=c1[nH]c(-c2cc(Br)ccc2F)nc2nccnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.43
PTGES O14684 3/20 0.39
CSNK2A2 P19784 8/20 0.38
CSNK2B P67870 8/20 0.38
PIM1 P11309 7/20 0.38
PIM3 Q86V86 7/20 0.38
PIM2 Q9P1W9 7/20 0.38
TGFBR1 P36897 2/20 0.34
SPR P35270 1/20 0.34
PRKD3 O94806 1/20 0.34
PRKD1 Q15139 1/20 0.34
PRKD2 Q9BZL6 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34

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
SCHEMBL2127203 0.85 PRKD3 (0.47) PTGESCSNK2A2CSNK2BPIM1PIM3
SCHEMBL2128135 0.79 ADORA1 (0.34) PTGESCSNK2A2CSNK2BPIM1PIM3
SCHEMBL14238166 0.79 TNKS2 (0.50) GRIA1GRIA2GRIA3GRIA4
SCHEMBL2127006 0.78 AMY1A (0.43) AMY1APTGESCSNK2A2CSNK2BPIM1
SCHEMBL2130092 0.71 MGAM (0.50) GRIA1GRIA2GRIA3GRIA4
SCHEMBL17816407 0.71 TNKS (0.63) AMY1A
SCHEMBL2125422 0.71 TGFBR1 (0.50) AMY1APTGESTGFBR1PRKD3PRKD1
SCHEMBL27732302 0.71 TGFBR1 (0.42) AMY1ATGFBR1PRKD3PRKD1PRKD2
SCHEMBL2125639 0.69 GAA (0.50) PTGES
SCHEMBL29793225 0.67 MC4R (0.48) AMY1AGABRA1GABRA5GABRA3GABRA2

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 25 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-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-20160159803-A1 Pteridines Useful As HCV Inhibitors And Methods For The Preparation Thereof Janssen Sciences Ireland Unlimited Company (IE) 2016-06-09 US disclosed
US-20160159803-A1 Pteridines Useful As HCV Inhibitors And Methods For The Preparation Thereof Janssen Sciences Ireland Unlimited Company (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-20160159803-A1 Pteridines Useful As HCV Inhibitors And Methods For The Preparation Thereof HCCS, HAVCR2, MAVS AMY1A 4559/4885PTGES 749/4885CSNK2A2 3712/4885
US-20170275288-A1 PTERIDINES USEFUL AS HCV INHIBITORS AND METHODS FOR THE PREPARATION THEREOF HCCS, HAVCR2, MAVS AMY1A 4559/4885PTGES 749/4885CSNK2A2 3712/4885
US-20090156595-A1 Pteridines useful as HCV inhibitors and methods for the preparation thereof HCCS, HAVCR2, MAVS AMY1A 4559/4885PTGES 749/4885CSNK2A2 3712/4885

“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.