SCHEMBL2447086

SCHEMBL2447086

CC(=O)OCc1ccn2ncnc(Cl)c12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.34
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 1/20 0.33
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
POLB P06746 1/20 0.32
NOTUM Q6P988 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
CYP3A4 P08684 1/20 0.31
EGFR P00533 3/20 0.31
ERBB2 P04626 3/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
MET P08581 1/20 0.31
MAPK1 P28482 2/20 0.31
AAK1 Q2M2I8 1/20 0.31

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
SCHEMBL4552194 0.78 ERBB2 (0.32) ALDH1A1KDM4EHTTEGFRERBB2
SCHEMBL18031718 0.74 AURKB (0.40) ALDH1A1KDM4EHTTEGFRMET
Bromide SCHEMBL1220392 0.69 ERBB2 (0.33) EGFRERBB2
SCHEMBL16646756 0.69 AURKB (0.38) ALDH1A1KDM4EHTTEGFRMAPK1
SCHEMBL1219978 0.68 EGFR (0.49) EGFRERBB2METAAK1
SCHEMBL2232622 0.66 MAPT (0.33) ALDH1A1NOTUM
SCHEMBL11807200 0.64 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10NOTUMGAA
SCHEMBL27150149 0.63 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10NOTUMHTT
SCHEMBL1226304 0.62 MAP2K1 (0.54) EGFRERBB2
SCHEMBL5069888 0.62 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1446401-B1 C5-modified indazolylpyrrolotriazines BRISTOL MYERS SQUIBB CO (US) 2011-09-14 EP disclosed
EP-1446401-A4 C-5 MODIFIED INDAZOLYLPYRROLOTRIAZINES BRISTOL MYERS SQUIBB CO (US) 2006-04-12 EP disclosed
US-20050209235-A1 C-5 Modified indazolylpyrrolotriazines MASTALERZ HAROLD 2005-09-22 US disclosed
US-6908916-B2 C-5 modified indazolylpyrrolotriazines BRISTOL MYERS SQUIBB COMPANY (US) 2005-06-21 US disclosed
EP-1446401-A2 C-5 MODIFIED INDAZOLYLPYRROLOTRIAZINES Bristol-Myers Squibb Company (US) 2004-08-18 EP disclosed
US-20030186983-A1 C-5 Modified indazolylpyrrolotriazines BRISTOL-MYERS SQUIBB COMPANY 2003-10-02 US disclosed
WO-2003042172-A2 C-5 MODIFIED INDAZOLYLPYRROLOTRIAZINES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-05-22 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-20030186983-A1 C-5 Modified indazolylpyrrolotriazines ERBB2, ERBB4, EGFR ALDH1A1 2091/4885KDM4E 2057/4885HSD17B10 3714/4885
US-20050209235-A1 C-5 Modified indazolylpyrrolotriazines ERBB2, ERBB4, EGFR ALDH1A1 2381/4885KDM4E 1881/4885HSD17B10 3723/4885

“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.