SCHEMBL5957575

SCHEMBL5957575

CC(C)(C)[Si](C)(C)Oc1ccc2[nH]c(-c3nc4ccccc4[nH]c3=O)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
KDM4E B2RXH2 5/20 0.43
ITK Q08881 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
TLR9 Q9NR96 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA9 Q16790 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA1 P30542 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5957715 0.77 RAB9A (0.61) RAB9ANPC1KDM4EITKCASP1
SCHEMBL5957735 0.75 RAB9A (0.52) RAB9ANPC1KDM4ECASP1CASP7
SCHEMBL5957684 0.74 RAB9A (0.44) RAB9ANPC1KDM4EITKCASP1
SCHEMBL5957992 0.72 RAB9A (0.52) RAB9ANPC1KDM4EITKCASP1
SCHEMBL5957995 0.70 KDR (0.55) KDRPDGFRBFGFR1
SCHEMBL14508616 0.68 ITK (0.48) RAB9ANPC1KDM4EITKCASP1
SCHEMBL10050789 0.68 TRPA1 (0.40) RAB9ANPC1KDM4EITKCASP1
SCHEMBL5957831 0.67 KDR (0.46) RAB9ANPC1KDM4EITKHSD17B10
SCHEMBL12017833 0.67 CA1 (0.59) RAB9ANPC1KDM4ECA12CA1
SCHEMBL1622845 0.66 CA12 (0.44) RAB9ANPC1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004011-A1 Indolyl pyrazinone derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER PHARMACEUTICALS CORPORATION (US) 2006-01-05 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 (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-20060004011-A1 Indolyl pyrazinone derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis MKI67, VEGFA, FLT1 RAB9A 2009/4885NPC1 2143/4885KDM4E 4059/4885

“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.