SCHEMBL1730732

SCHEMBL1730732

CCc1c(C(=O)OC)cn2nc[nH]c(=O)c12

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.55
EGFR P00533 5/20 0.40
ERBB2 P04626 5/20 0.40
KDR P35968 6/20 0.38
ROCK1 Q13464 1/20 0.37
BRD4 O60885 2/20 0.36
MAPK14 Q16539 2/20 0.35
NR4A2 P43354 1/20 0.35
PARP1 P09874 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL2446434 0.82 NR1H2 (0.55) NR1H2KDRROCK1MAPK14PARP1
SCHEMBL1683479 0.79 NR1H2 (0.76) NR1H2KDRROCK1PARP1
SCHEMBL4048440 0.79 NR1H2 (0.67) NR1H2EGFRERBB2KDRKDM4E
SCHEMBL1728862 0.76 NR1H2 (0.64) NR1H2EGFRERBB2KDRKDM4E
SCHEMBL1730410 0.75 NR1H2 (0.73) NR1H2KDRMAPK14KDM4EGAA
SCHEMBL14110568 0.74 NR1H2 (0.69) NR1H2EGFRERBB2KDRKDM4E
SCHEMBL1730673 0.74 EGFR (0.50) EGFRERBB2KDRMAPK14
SCHEMBL16646776 0.69 NR1H2 (0.66) NR1H2KDM4EGAA
SCHEMBL2447815 0.69 NR1H2 (0.52) NR1H2KDRROCK1BRD4KDM4E
SCHEMBL12728715 0.69 NR1H2 (0.52) NR1H2KDRROCK1BRD4MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569937-B1 C-6 MODIFIED INDAZOLYLPYRROLOTRIAZINES BRISTOL MYERS SQUIBB CO (US) 2011-11-23 EP disclosed
EP-1569937-A4 C-6 MODIFIED INDAZOLYLPYRROLOTRIAZINES BRISTOL MYERS SQUIBB CO (US) 2007-08-08 EP disclosed
US-7148220-B2 C-6 modified indazolylpyrrolotriazines BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-12 US disclosed
US-20050222153-A1 C-6 modified indazolylpyrrolotriazines VITE GREGORY D 2005-10-06 US disclosed
EP-1569937-A2 C-6 MODIFIED INDAZOLYLPYRROLOTRIAZINES Bristol-Myers Squibb Company (US) 2005-09-07 EP disclosed
US-6916815-B2 C-6 modified indazolylpyrrolotriazines BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-12 US disclosed
US-20040142931-A1 C-6 modified indazolylpyrrolotriazines BRISTOL-MYERS SQUIBB COMPANY 2004-07-22 US disclosed
WO-2004054514-A2 C-6 MODIFIED INDAZOLYLPYRROLOTRIAZINES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-01 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-20050222153-A1 C-6 modified indazolylpyrrolotriazines ERBB2, ERBB4, EGFR NR1H2 2904/4885EGFR 3/4885ERBB2 1/4885
US-20040142931-A1 C-6 modified indazolylpyrrolotriazines ERBB2, ERBB4, EGFR NR1H2 2767/4885EGFR 3/4885ERBB2 1/4885

“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.