SCHEMBL2127203

SCHEMBL2127203

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.47
TGFBR1 P36897 1/20 0.47
PRKD1 Q15139 1/20 0.47
PRKD2 Q9BZL6 1/20 0.47
GUSB P08236 1/20 0.39
PTGES O14684 3/20 0.38
GRM4 Q14833 2/20 0.38
PIM1 P11309 2/20 0.37
CSNK2A2 P19784 2/20 0.37
CSNK2B P67870 2/20 0.37
PIM3 Q86V86 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
SGK1 O00141 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 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
SCHEMBL2127007 0.85 AMY1A (0.43) PRKD3TGFBR1PRKD1PRKD2PTGES
SCHEMBL2125639 0.78 GAA (0.50) PTGESGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2127201 0.78 TGFBR1 (0.42) PRKD3TGFBR1PRKD1PRKD2GUSB
SCHEMBL5131841 0.75 GUSB (0.45) GUSBPTGESPIM1CSNK2A2CSNK2B
SCHEMBL5555401 0.72 TGFBR1 (0.63) PRKD3TGFBR1PRKD1PRKD2GRM4
SCHEMBL2130092 0.72 MGAM (0.50) GAA
SCHEMBL27712137 0.70 TGFBR1 (0.57) PRKD3TGFBR1PRKD1PRKD2GRM4
SCHEMBL13649272 0.70 JAK2 (0.42) TGFBR1GUSBSGK1LMNA
SCHEMBL14238166 0.68 TNKS2 (0.50)
SCHEMBL3841207 0.68 NR1I2 (0.41) TGFBR1GUSBPTGESSGK1MEN1

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 10 patents. 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-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-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-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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 PRKD3 2630/4885TGFBR1 4569/4885PRKD1 2798/4885
US-20170275288-A1 PTERIDINES USEFUL AS HCV INHIBITORS AND METHODS FOR THE PREPARATION THEREOF HCCS, HAVCR2, MAVS PRKD3 2630/4885TGFBR1 4569/4885PRKD1 2798/4885
US-20160158238-A1 Pteridines Useful As HCV Inhibitors And Methods For The Preparation Thereof HCCS, HAVCR2, MAVS PRKD3 2630/4885TGFBR1 4569/4885PRKD1 2798/4885
US-20090156595-A1 Pteridines useful as HCV inhibitors and methods for the preparation thereof HCCS, HAVCR2, MAVS PRKD3 2630/4885TGFBR1 4569/4885PRKD1 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.