SCHEMBL702011

SCHEMBL702011

O=C(NO)c1ccc(Nc2cc(-c3cnc4ccccn34)cnn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.45
TBK1 Q9UHD2 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.44
MIF P14174 1/20 0.42
PKM P14618 4/20 0.42
CDK2 P24941 3/20 0.41
IGF1R P08069 2/20 0.41
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TP53 P04637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC3 O15379 1/20 0.39
ACHE P22303 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC9 Q9UKV0 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
SCHEMBL705455 0.86 HDAC1 (0.55) IKBKETBK1NPC1RAB9ASMN1; SMN2
SCHEMBL3679760 0.76 PKM (0.74) IRAK4PKMCDK2NPC1RAB9A
SCHEMBL699645 0.76 CDK2 (0.67) IRAK4CDK2IGF1RHDAC6HDAC3
SCHEMBL700113 0.76 CDK2 (0.48) IRAK4PKMCDK2IGF1RNPC1
SCHEMBL272800 0.76 CDK2 (0.49) CDK2CDK1
SCHEMBL13984939 0.75 PKM (0.48) IRAK4PKMNPC1RAB9ASMN1; SMN2
SCHEMBL699813 0.73 CDK2 (0.50) CDK2IGF1RHDAC6HDAC3HDAC1
SCHEMBL699910 0.73 CDK2 (0.52) PKMCDK2IGF1RHDAC6HDAC3
SCHEMBL13984934 0.72 MEN1 (0.49) IRAK4PKMCDK2NPC1RAB9A
SCHEMBL4210254 0.72 PKM (0.47) IRAK4PKMCDK2IGF1RNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US claimed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US claimed

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-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 IKBKE 172/4885TBK1 3059/4885IRAK4 2350/4885

“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.