SCHEMBL4046899

SCHEMBL4046899

CCOC(=O)c1cn2nc[nH]c(=O)c2c1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.64
ALDH1A1 P00352 5/20 0.47
MDM2 Q00987 2/20 0.45
KDM4E B2RXH2 4/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 3/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAP2K1 Q02750 2/20 0.44
HIF1A Q16665 1/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
JAK2 O60674 2/20 0.43
JAK3 P52333 2/20 0.43

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
SCHEMBL1730410 0.82 NR1H2 (0.73) NR1H2ALDH1A1KDM4EHPGDMAPT
SCHEMBL4046774 0.80 NR1H2 (0.70) NR1H2ALDH1A1KDM4EHPGDMAPT
SCHEMBL16646776 0.79 NR1H2 (0.66) NR1H2ALDH1A1KDM4EHPGDMAPT
SCHEMBL14110568 0.79 NR1H2 (0.69) NR1H2ALDH1A1KDM4EHPGDMAPT
SCHEMBL4048440 0.78 NR1H2 (0.67) NR1H2ALDH1A1KDM4EHPGDMAPT
SCHEMBL1683457 0.78 NR1H2 (1.00) NR1H2ALDH1A1KDM4EHPGDRAB9A
SCHEMBL1728862 0.75 NR1H2 (0.64) NR1H2ALDH1A1KDM4EHPGDMAPT
SCHEMBL12872139 0.74 BRD4 (0.50) NR1H2KDM4EMAPTRAB9ALMNA
SCHEMBL8365211 0.70 TSHR (0.66) ALDH1A1MDM2KDM4EHPGDMAPT
SCHEMBL2447815 0.69 NR1H2 (0.52) NR1H2ALDH1A1KDM4EHPGDGAA

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-1669071-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB CO (US) 2009-07-22 EP disclosed
US-7244733-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
US-7112675-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-26 US disclosed
US-20060128709-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY 2006-06-15 US disclosed
EP-1669071-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-14 EP disclosed
EP-1183033-B1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2006-03-01 EP disclosed
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 US disclosed
US-6982265-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB COMPANY (US) 2006-01-03 US disclosed
EP-1183033-A4 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2002-07-17 EP disclosed
EP-1183033-A1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-03-06 EP disclosed
WO-2000071129-A1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-11-30 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 (2 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-20060128709-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 NR1H2 3177/4885ALDH1A1 1255/4885MDM2 1053/4885
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 NR1H2 3177/4885ALDH1A1 1255/4885MDM2 1053/4885

“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.