SCHEMBL701008

SCHEMBL701008

O=C(O)c1ccc(Nc2ncc(F)c(-c3cnc4ccccn34)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.57
GSK3A P49840 2/20 0.57
AURKA O14965 5/20 0.53
JAK2 O60674 2/20 0.51
AURKB Q96GD4 2/20 0.51
CDK2 P24941 8/20 0.51
IGF1R P08069 4/20 0.51
KCNH2 Q12809 4/20 0.49
CDK7 P50613 4/20 0.46
CDK9 P50750 4/20 0.46
HDAC3 O15379 3/20 0.46
HDAC1 Q13547 3/20 0.46
RPS6KB1 P23443 1/20 0.46
FLT3 P36888 1/20 0.46
JAK3 P52333 1/20 0.46
BTK Q06187 1/20 0.46
HDAC6 Q9UBN7 2/20 0.45
EGFR P00533 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
CDK1 P06493 1/20 0.45

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
SCHEMBL699910 0.90 CDK2 (0.52) GSK3BGSK3AAURKAJAK2AURKB
SCHEMBL701007 0.85 HDAC1 (0.57) AURKAAURKBCDK2IGF1RKCNH2
SCHEMBL7978513 0.81 CDK2 (0.69) GSK3BAURKAAURKBCDK2IGF1R
SCHEMBL23245965 0.81 CDK2 (0.48) GSK3BGSK3AAURKAJAK2AURKB
SCHEMBL29884067 0.81 CDK2 (0.48) GSK3BGSK3AAURKAJAK2AURKB
SCHEMBL699813 0.78 CDK2 (0.50) JAK2CDK2IGF1RKCNH2CDK7
SCHEMBL29883521 0.77 IGF1R (0.65) CDK2IGF1RKCNH2CDK7CDK9
SCHEMBL23246020 0.77 IGF1R (0.65) CDK2IGF1RKCNH2CDK7CDK9
SCHEMBL12789980 0.76 PKM (0.49) CDK2IGF1RIRAK4
SCHEMBL27475477 0.75 IRAK4 (0.55) GSK3BCDK2IGF1RKCNH2CDK7

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 4 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 disclosed
EP-2303881-A2 FUSED HETEROCYCLYC INHIBITORS OF HISTONE DEACETYLASE AND/OR CYCLIN-DEPENDENT KINASES GILEAD SCIENCES, INC. (US) 2011-04-06 EP disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
WO-2010009155-A2 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 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-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 GSK3B 477/4885GSK3A 615/4885AURKA 123/4885

“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.