SCHEMBL16007138

SCHEMBL16007138

CCOC(=O)Nn1ccc(-c2ccccc2)c1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
GAA P10253 6/20 0.43
KDM4E B2RXH2 5/20 0.43
CYP1A2 P05177 4/20 0.43
CYP2C9 P11712 4/20 0.43
CYP2C19 P33261 4/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
THRB P10828 1/20 0.40
CHRM3 P20309 3/20 0.39
ADORA3 P0DMS8 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
NTRK1 P04629 1/20 0.39
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL16007133 0.72 ALDH1A1 (0.47) ALDH1A1GAAKDM4EHPGDMEN1
SCHEMBL16056968 0.72 HTT (0.44) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL31454201 0.72 HTT (0.44) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL30590661 0.71 ALDH1A1 (0.51) ALDH1A1GAAKDM4ECYP1A2CYP2C9
SCHEMBL7441225 0.70 ALDH1A1 (0.56) ALDH1A1GAAKDM4ECYP1A2CYP2C9
SCHEMBL27149002 0.70 SMN1; SMN2 (0.47) ALDH1A1GAACYP3A4KMT2ASMN1; SMN2
SCHEMBL9194011 0.70 ALDH1A1 (0.46) ALDH1A1GAAKDM4ECYP1A2HPGD
SCHEMBL15561085 0.69 ALDH1A1 (0.46) ALDH1A1GAAKDM4ECYP1A2CYP2C9
SCHEMBL25361763 0.69 ALDH1A1 (0.40) ALDH1A1GAAKDM4ECYP1A2HPGD
SCHEMBL23692936 0.68

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 2596/4885GAA 4803/4885KDM4E 1004/4885

“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.