SCHEMBL5190979

SCHEMBL5190979

COc1ccc(C(=O)Nc2cc(CN3C(=O)N(c4ccc5c(c4)N(C(C)=O)CC5(C)C)C(=O)C3(C)C)ccn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 17/20 0.49
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MITF O75030 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
XBP1 P17861 1/20 0.36
HTT P42858 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
SCHEMBL5481936 0.92 IGF1R (0.47) IGF1RNPC1RAB9AALDH1A1TP53
SCHEMBL5471912 0.91 IGF1R (0.48) IGF1RHDAC1HDAC6
SCHEMBL5477702 0.90 IGF1R (0.50) IGF1R
SCHEMBL5485444 0.85 IGF1R (0.52) IGF1R
SCHEMBL5483103 0.85 IGF1R (0.51) IGF1RHDAC1HDAC6NPC1RAB9A
SCHEMBL5480867 0.83 IGF1R (0.47) IGF1R
SCHEMBL5472362 0.82 IGF1R (0.54) IGF1R
SCHEMBL5480309 0.82 IGF1R (0.51) IGF1R
SCHEMBL4881515 0.82 IGF1R (0.59) IGF1RNPC1RAB9A
SCHEMBL5484362 0.82 IGF1R (0.44) IGF1RHDAC1HDAC6

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 3 patents. 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
EP-1773828-A1 HETEROCYCLE -SUBSTITUTED CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2007-04-18 EP disclosed
WO-2006010642-A1 HETEROCYCLE-SUBSTITUTED CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2006-02-02 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-20070259891-A1 Heterocycle-Substituted Cyclic Urea Derivatives, Preparation Thereof And Pharmaceutical Use Thereof As Kinase Inhibitors CDK1, PRKAR2B, MAP3K19 IGF1R 854/4885HDAC1 2277/4885HDAC6 2616/4885

“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.