SCHEMBL558664

SCHEMBL558664

COc1ccc2c(c1OC)CCC2(C#N)O[Si](C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.42
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
PARP1 P09874 1/20 0.35
PDE4A P27815 2/20 0.33
LMNA P02545 2/20 0.31
ACHE P22303 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
AGTR1 P30556 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL17605449 0.83 ALDH1A1 (0.40) ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL17605186 0.82
SCHEMBL12379988 0.75 ABCB1 (0.45) ABCB1KDM4EALDH1A1HPGDPARP1
SCHEMBL8734044 0.75 CYP2C19 (0.35) KDM4EALDH1A1LMNAMEN1MAPT
SCHEMBL22040242 0.74
SCHEMBL12361615 0.74 ABCB1 (0.36) ABCB1KDM4EALDH1A1HPGDPARP1
SCHEMBL9364462 0.73 ADRA2A (0.43) KDM4EALDH1A1HPGDKMT2A
SCHEMBL23891614 0.73
SCHEMBL7973198 0.72 KDM1A (0.36) ALDH1A1MEN1TP53KMT2A
SCHEMBL23891554 0.71 ADRA2A (0.38) KDM4EALDH1A1HPGD

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
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
EP-2024342-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS Pfizer Products Incorporated (US) 2009-02-18 EP disclosed
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 ABCB1 1756/4885KDM4E 2041/4885ALDH1A1 1098/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 ABCB1 1756/4885KDM4E 2041/4885ALDH1A1 1098/4885

“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.