SCHEMBL4488152

SCHEMBL4488152

CN(C)CC(=O)N(C)c1ccc(N/C(=C2\C(=O)Nc3cc(C#N)ccc32)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
RORC P51449 2/20 0.36
KDR P35968 1/20 0.36
ROCK2 O75116 1/20 0.35
F2 P00734 1/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
KLKB1 P03952 1/20 0.35
PRSS1 P07477 1/20 0.35
PGR P06401 1/20 0.35
SIRT2 Q8IXJ6 6/20 0.34
TXK P42681 1/20 0.34
ITK Q08881 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IMPDH2 P12268 1/20 0.33

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
SCHEMBL4488153 1.00 KMT2A (0.37) KMT2ARORCKDRROCK2F2
SCHEMBL4487449 0.93 KMT2A (0.35) KMT2ARORCKDRROCK2F2
SCHEMBL4487451 0.93 KMT2A (0.35) KMT2ARORCKDRROCK2F2
SCHEMBL4488324 0.92 KMT2A (0.36) KMT2ARORCKDRROCK2F2
SCHEMBL4488329 0.92 KMT2A (0.36) KMT2ARORCKDRROCK2F2
SCHEMBL4490910 0.88 CCNB2 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL30979370 0.88 CCNB2 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL3158729 0.88 BACE1 (0.38) KDRALDH1A1SMN1; SMN2
SCHEMBL4490906 0.88 CCNB2 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL3158717 0.88 BACE1 (0.38) KDRALDH1A1SMN1; SMN2

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-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 KMT2A 3530/4885RORC 309/4885KDR 1/4885

“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.