SCHEMBL1728596

SCHEMBL1728596

CC(C)(C)OC(=O)N1CCC(CCO)CC1.CC(C)(C)OC(=O)N1CCC(CO)CC1.CC(C)(C)OC(=O)N1CCCC(CO)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.49
HPGD P15428 1/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
GLS O94925 2/20 0.46
BACE1 P56817 2/20 0.45
CTSD P07339 1/20 0.45
EPHX1 P07099 1/20 0.43
FEN1 P39748 1/20 0.43
ACKR3 P25106 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
GPR119 Q8TDV5 3/20 0.42
FAAH O00519 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL5387542 0.91 HPGD (0.56) NR1H2HPGDMEN1ALDH1A1MAPT
SCHEMBL771181 0.90 MEN1 (0.53) NR1H2HPGDMEN1ALDH1A1MAPT
SCHEMBL6407123 0.90 MEN1 (0.53) NR1H2HPGDMEN1ALDH1A1MAPT
SCHEMBL792672 0.90 MEN1 (0.53) NR1H2HPGDMEN1ALDH1A1MAPT
SCHEMBL344916 0.89 NR1H2 (0.59) NR1H2HPGDMEN1ALDH1A1MAPT
SCHEMBL344915 0.89 NR1H2 (0.59) NR1H2HPGDMEN1ALDH1A1MAPT
SCHEMBL1785894 0.89 NR1H2 (0.59) NR1H2HPGDMEN1ALDH1A1MAPT
SCHEMBL3600795 0.89 HPGD (0.57) NR1H2HPGDMEN1ALDH1A1MAPT
SCHEMBL344474 0.87 NR1H2 (0.51) NR1H2HPGDMEN1ALDH1A1MAPT
SCHEMBL364778 0.87 NR1H2 (0.51) NR1H2HPGDMEN1ALDH1A1MAPT

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 6 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
EP-1569937-A2 C-6 MODIFIED INDAZOLYLPYRROLOTRIAZINES Bristol-Myers Squibb Company (US) 2005-09-07 EP 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 (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-20040142931-A1 C-6 modified indazolylpyrrolotriazines ERBB2, ERBB4, EGFR NR1H2 2767/4885HPGD 2445/4885MEN1 2283/4885

“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.