SCHEMBL16007066

SCHEMBL16007066

FC(F)c1ncc(Br)cc1SCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
DAO P14920 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
PPARG P37231 3/20 0.36
NCOA2 Q15596 3/20 0.36
NCOA1 Q15788 3/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ABL1 P00519 1/20 0.35

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
SCHEMBL29858085 0.78 POLB (0.50) POLBHSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL26917296 0.78 POLB (0.50) POLBHSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL9955393 0.78 GAA (0.43) POLBHSD17B10HPGDNPSR1TDP1
SCHEMBL21761104 0.77 DAO (0.40) POLBHSD17B10HPGDNPSR1TDP1
SCHEMBL16007340 0.77 SCN9A (0.39) HSD17B10DAOSMN1; SMN2NPC1RAB9A
SCHEMBL20680345 0.74 ALDH1A1 (0.41) POLBHSD17B10HPGDNPSR1TDP1
SCHEMBL26130944 0.74 MAOB (0.43) POLBHSD17B10HPGDNPSR1TDP1
SCHEMBL31238875 0.74 MAOB (0.43) POLBHSD17B10HPGDNPSR1TDP1
SCHEMBL17927636 0.73 HSD17B10 (0.41) POLBHSD17B10HPGDNPSR1DAO
SCHEMBL29858070 0.72 MEN1 (0.46) POLBHSD17B10HPGDSMN1; SMN2MAPT

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
CN-105008367-B It is used as the pyrrolo-triazine class compound of potassium channel inhibitors 百时美施贵宝公司 2017-08-29 CN disclosed
CN-105026399-B As the pyrrolo-triazine class compound of potassium channel inhibitors 百时美施贵宝公司 2017-06-23 CN disclosed
EP-2970294-B1 PYRROLOTRIAZINES AS POTASSIUM ION CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-12-28 EP disclosed
EP-2970296-B1 PYRROLOTRIAZINES AS POTASSIUM ION CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP disclosed
EP-2970296-B1 PYRROLOTRIAZINES AS POTASSIUM ION CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP disclosed
US-9403834-B2 Pyrrolotriazines as potassium ion channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-02 US disclosed
US-9403834-B2 Pyrrolotriazines as potassium ion channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-02 US disclosed
US-9403834-B2 Pyrrolotriazines as potassium ion channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-02 US disclosed
EP-2970294-A1 PYRROLOTRIAZINES AS POTASSIUM ION CHANNEL INHIBITORS Bristol-Myers Squibb Company (US) 2016-01-20 EP disclosed
EP-2970296-A1 PYRROLOTRIAZINES AS POTASSIUM ION CHANNEL INHIBITORS Bristol-Myers Squibb Company (US) 2016-01-20 EP disclosed
US-9050345-B2 Pyrrolotriazines as potassium ion channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-09 US disclosed
US-9050345-B2 Pyrrolotriazines as potassium ion channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-09 US disclosed
US-9050345-B2 Pyrrolotriazines as potassium ion channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-09 US disclosed
WO-2014143610-A1 PYRROLOTRIAZINES AS POTASSIUM ION CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-18 WO disclosed
WO-2014143606-A1 PYRROLOTRIAZINES AS POTASSIUM ION CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-18 WO disclosed
WO-2014143606-A1 PYRROLOTRIAZINES AS POTASSIUM ION CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-18 WO disclosed
WO-2014143610-A1 PYRROLOTRIAZINES AS POTASSIUM ION CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-18 WO disclosed
US-20140256719-A1 PYRROLOTRIAZINES AS POTASSIUM ION CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-09-11 US disclosed
US-20140256719-A1 PYRROLOTRIAZINES AS POTASSIUM ION CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-09-11 US disclosed
US-20140256719-A1 PYRROLOTRIAZINES AS POTASSIUM ION CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-09-11 US 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-20140256719-A1 PYRROLOTRIAZINES AS POTASSIUM ION CHANNEL INHIBITORS KCNJ4, KCNJ2, KCNA4 POLB 3412/4885HSD17B10 2056/4885HPGD 2191/4885

“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.