SCHEMBL10252007

SCHEMBL10252007

O=C(NOC1CCCCO1)c1ccc(Nc2nccc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 10/20 0.45
INSR P06213 2/20 0.45
MAPK14 Q16539 2/20 0.45
CDK2 P24941 8/20 0.43
CDK4 P11802 4/20 0.43
CCNE1 P24864 4/20 0.42
EGFR P00533 2/20 0.41
ERBB2 P04626 2/20 0.41
BRAF P15056 2/20 0.40
PLK4 O00444 2/20 0.39
CHEK1 O14757 2/20 0.39
PRKD3 O94806 2/20 0.39
LCK P06239 2/20 0.39
CSF1R P07333 2/20 0.39
ROS1 P08922 2/20 0.39
KIT P10721 2/20 0.39
FGFR1 P11362 2/20 0.39
SRC P12931 2/20 0.39
FLT1 P17948 2/20 0.39
FGFR3 P22607 2/20 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
SCHEMBL10252382 0.89 CDK2 (0.42) IGF1RINSRMAPK14CDK2FLT3
SCHEMBL7975185 0.88 INSR (0.42) IGF1RINSRMAPK14CDK2EGFR
SCHEMBL700863 0.82 CAMK2D (0.55) IGF1RINSRMAPK14CDK2CDK4
SCHEMBL7974320 0.82 IGF1R (0.42) IGF1RCDK2CDK4CCNE1EGFR
SCHEMBL7995054 0.81 CDK2 (0.43) IGF1RINSRMAPK14CDK2CDK4
SCHEMBL7964761 0.81 HDAC1 (0.48) CDK2CDK4CCNE1
SCHEMBL7980583 0.80 CDK2 (0.50) CDK2CDK4CCNE1PLK4CHEK1
SCHEMBL7978153 0.80 HDAC1 (0.51) IGF1RINSRMAPK14CDK2CDK4
SCHEMBL10252325 0.80 CDK2 (0.49) IGF1RINSRMAPK14CDK2CDK4
SCHEMBL7976887 0.80 CDK2 (0.57) IGF1RCDK2CDK4CCNE1AURKB

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 disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 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-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 IGF1R 1719/4885INSR 3091/4885MAPK14 559/4885

“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.