SCHEMBL700180

SCHEMBL700180

O=C(NO)c1ccc(Nc2nccc(-c3c(C(F)(F)F)nc4ccccn34)n2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.49
CCNE1 P24864 4/20 0.49
CDK4 P11802 4/20 0.49
IGF1R P08069 8/20 0.42
PLK4 O00444 1/20 0.39
CHEK1 O14757 1/20 0.39
PRKD3 O94806 1/20 0.39
LCK P06239 1/20 0.39
CSF1R P07333 1/20 0.39
ROS1 P08922 1/20 0.39
KIT P10721 1/20 0.39
FGFR1 P11362 1/20 0.39
SRC P12931 1/20 0.39
FLT1 P17948 1/20 0.39
FGFR3 P22607 1/20 0.39
MARK3 P27448 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
SYK P43405 1/20 0.39
CLK2 P49760 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
SCHEMBL701827 0.89 HDAC1 (0.51) CDK2CCNE1CDK4IGF1RPLK4
SCHEMBL702195 0.87 CDK2 (0.62) CDK2CCNE1CDK4PRKD3FLT3
SCHEMBL701093 0.84 IGF1R (0.42) CDK2CCNE1CDK4IGF1RFGFR1
SCHEMBL700863 0.83 CAMK2D (0.55) CDK2CCNE1CDK4IGF1RPLK4
SCHEMBL700954 0.81 CDK2 (0.54) CDK2CDK4IGF1RIRAK4HDAC1
SCHEMBL701790 0.79 CDK2 (0.47) CDK2CCNE1CDK4IGF1RSRC
SCHEMBL7964048 0.79 CDK2 (0.61) CDK2CCNE1CDK4PLK4CHEK1
SCHEMBL7976887 0.78 CDK2 (0.57) CDK2CCNE1CDK4IGF1RGSK3A
SCHEMBL7974483 0.78 CDK2 (0.66) CDK2CCNE1CDK4PLK4CHEK1
SCHEMBL700356 0.78 IGF1R (0.44) CDK2CCNE1CDK4IGF1RINSR

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 CDK2 16/4885CCNE1 75/4885CDK4 15/4885

“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.