SCHEMBL4494608

SCHEMBL4494608

CN(C)CCN(C)C(=O)c1c[c]c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.43
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
PARP1 P09874 3/20 0.32
HDAC4 P56524 1/20 0.32
SYK P43405 1/20 0.30

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
SCHEMBL182328 0.67 HDAC4 (0.45) HRH4PARP1HDAC4
SCHEMBL4493093 0.67 HRH4 (0.34) HRH4CHRM2CHRM4CHRM5CHRM1
SCHEMBL6015706 0.64 HRH4 (0.43) HRH4PARP1HDAC4
SCHEMBL1908349 0.64
SCHEMBL15224050 0.64 HRH4 (0.59) HRH4PARP1SYK
SCHEMBL6598473 0.62 KMT2A (0.51) PARP1HDAC4
SCHEMBL4352661 0.61 PARP1 (0.38) HRH4CHRM2CHRM4CHRM5CHRM1
SCHEMBL12237841 0.61 CDK4 (0.50) HDAC4
SCHEMBL25975198 0.61 HDAC4 (0.49) HRH4PARP1HDAC4
SCHEMBL7849513 0.60 CHRM2 (0.38) HRH4CHRM2CHRM4CHRM5CHRM1

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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 US claimed
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR HRH4 990/4885CHRM2 610/4885CHRM4 1235/4885

“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.