SCHEMBL4488324

SCHEMBL4488324

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
KDR P35968 2/20 0.35
ROCK2 O75116 1/20 0.35
TXK P42681 1/20 0.34
ITK Q08881 1/20 0.34
F2 P00734 1/20 0.34
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
KLKB1 P03952 1/20 0.34
PRSS1 P07477 1/20 0.34
PGR P06401 1/20 0.34
MCHR1 Q99705 3/20 0.34
RORC P51449 1/20 0.34
TLK2 Q86UE8 1/20 0.33
SIRT2 Q8IXJ6 4/20 0.33
TERT O14746 3/20 0.33
PDGFRB P09619 1/20 0.32

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
SCHEMBL4488329 1.00 KMT2A (0.36) KMT2AKDRROCK2TXKITK
SCHEMBL4488152 0.92 KMT2A (0.37) KMT2AKDRROCK2TXKITK
SCHEMBL4488153 0.92 KMT2A (0.37) KMT2AKDRROCK2TXKITK
SCHEMBL4487449 0.91 KMT2A (0.35) KMT2AKDRROCK2TXKITK
SCHEMBL4487451 0.91 KMT2A (0.35) KMT2AKDRROCK2TXKITK
SCHEMBL4491116 0.88 EGFR (0.40) SIRT2TERT
SCHEMBL4491110 0.88 EGFR (0.40) SIRT2TERT
SCHEMBL4490351 0.87 BACE1 (0.41) KDRTERTPDGFRB
SCHEMBL4488642 0.87 ALDH1A1 (0.36) TERT
SCHEMBL4490347 0.87 BACE1 (0.41) KDRTERTPDGFRB

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 3530/4885KDR 1/4885ROCK2 392/4885

“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.