SCHEMBL1728862

SCHEMBL1728862

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

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.64
KDR P35968 3/20 0.39
EGFR P00533 5/20 0.39
ERBB2 P04626 5/20 0.39
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 1/20 0.36
ALK Q9UM73 1/20 0.36
MAP2K1 Q02750 1/20 0.36
GAA P10253 2/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL4046774 0.87 NR1H2 (0.70) NR1H2KDREGFRERBB2KMT2A
SCHEMBL4048440 0.85 NR1H2 (0.67) NR1H2KDREGFRERBB2KMT2A
SCHEMBL1730410 0.82 NR1H2 (0.73) NR1H2KDRKMT2AKDM4EALDH1A1
SCHEMBL14110568 0.79 NR1H2 (0.69) NR1H2KDREGFRERBB2KMT2A
SCHEMBL1683457 0.78 NR1H2 (1.00) NR1H2KDREGFRERBB2KMT2A
SCHEMBL16646776 0.77 NR1H2 (0.66) NR1H2KMT2AKDM4EALDH1A1HPGD
SCHEMBL1730732 0.76 NR1H2 (0.55) NR1H2KDREGFRERBB2KDM4E
SCHEMBL4046899 0.75 NR1H2 (0.64) NR1H2EGFRERBB2KMT2AKDM4E
SCHEMBL2446434 0.69 NR1H2 (0.55) NR1H2KDRHPGD
SCHEMBL27120715 0.67 NR1H2 (0.53) NR1H2EGFRERBB2KDM4EALDH1A1

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 5 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
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
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

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 2904/4885KDR 224/4885EGFR 3/4885
US-20040142931-A1 C-6 modified indazolylpyrrolotriazines ERBB2, ERBB4, EGFR NR1H2 2767/4885KDR 190/4885EGFR 3/4885

“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.