SCHEMBL5481936

SCHEMBL5481936

COc1cccc(C(=O)Nc2cc(CN3C(=O)N(c4ccc5c(c4)N(C(C)=O)CC5(C)C)C(=O)C3(C)C)ccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 12/20 0.47
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 2/20 0.38
TAS2R8 Q9NYW2 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NR3C2 P08235 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL5190979 0.92 IGF1R (0.49) IGF1RNPC1RAB9ATP53ALDH1A1
SCHEMBL5471912 0.90 IGF1R (0.48) IGF1R
SCHEMBL5188412 0.85 IGF1R (0.47) IGF1RNPC1RAB9ASMN1; SMN2TP53
SCHEMBL5477702 0.85 IGF1R (0.50) IGF1RTAS2R8
SCHEMBL5477364 0.84 IGF1R (0.51) IGF1RNPC1RAB9ATAS2R8
SCHEMBL5485444 0.83 IGF1R (0.52) IGF1R
SCHEMBL5481578 0.82 IGF1R (0.47) IGF1RTP53TAS2R8
SCHEMBL5480186 0.82 IGF1R (0.48) IGF1RTAS2R8
SCHEMBL5480867 0.82 IGF1R (0.47) IGF1R
SCHEMBL5472557 0.81 IGF1R (0.48) IGF1R

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-20070259891-A1 Heterocycle-Substituted Cyclic Urea Derivatives, Preparation Thereof And Pharmaceutical Use Thereof As Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2007-11-08 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-20070259891-A1 Heterocycle-Substituted Cyclic Urea Derivatives, Preparation Thereof And Pharmaceutical Use Thereof As Kinase Inhibitors CDK1, PRKAR2B, MAP3K19 IGF1R 854/4885NPC1 4086/4885RAB9A 1343/4885

“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.