SCHEMBL16007133

SCHEMBL16007133

COC(=O)c1c(-c2ccccc2)ccn1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HPGD P15428 3/20 0.47
LMNA P02545 1/20 0.47
PRKCZ Q05513 1/20 0.47
HTT P42858 1/20 0.44
GABRA1 P14867 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA3 P34903 2/20 0.43
EGFR P00533 1/20 0.43
TSHR P16473 1/20 0.43
MAPK8 P45983 2/20 0.42
GABRA5 P31644 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
ABL1 P00519 1/20 0.42

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
SCHEMBL30590661 0.83 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL31454201 0.81 HTT (0.44) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL16056968 0.81 HTT (0.44) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL23692936 0.79
SCHEMBL2446096 0.74 DAPK3 (0.41) ALDH1A1HPGDTSHRMAPK8DAPK3
Ethane SCHEMBL15559374 0.73 ABL1 (0.38) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL4247977 0.73 ABL1 (0.40) ALDH1A1MEN1KMT2AHPGDTSHR
SCHEMBL13731286 0.73 DAPK3 (0.40) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL16007138 0.72 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHPGDLMNA
Hydrochloric Acid SCHEMBL1396143 0.71 ABL1 (0.39) ALDH1A1MEN1KMT2AHPGDTSHR

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 13 patents. 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
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
EP-2970296-A1 PYRROLOTRIAZINES AS POTASSIUM ION CHANNEL INHIBITORS Bristol-Myers Squibb Company (US) 2016-01-20 EP disclosed
CN-105008367-A Pyrrolotriazines as potassium ion channel inhibitors BRISTOL MYERS SQUIBB CO 2015-10-28 CN 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-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 ALDH1A1 2596/4885MEN1 2790/4885KMT2A 1169/4885

“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.