SCHEMBL4487449

SCHEMBL4487449

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
RORC P51449 2/20 0.34
KDR P35968 1/20 0.34
MCHR1 Q99705 4/20 0.33
ROCK2 O75116 1/20 0.33
EGLN1 Q9GZT9 2/20 0.33
PGR P06401 1/20 0.33
F2 P00734 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
KLKB1 P03952 1/20 0.33
PRSS1 P07477 1/20 0.33
TXK P42681 1/20 0.32
ITK Q08881 1/20 0.32
TLK2 Q86UE8 1/20 0.32
SIRT2 Q8IXJ6 4/20 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
SCHEMBL4487451 1.00 KMT2A (0.35) KMT2ARORCKDRMCHR1ROCK2
SCHEMBL4488152 0.93 KMT2A (0.37) KMT2ARORCKDRROCK2PGR
SCHEMBL4488153 0.93 KMT2A (0.37) KMT2ARORCKDRROCK2PGR
SCHEMBL4488329 0.91 KMT2A (0.36) KMT2ARORCKDRMCHR1ROCK2
SCHEMBL4488324 0.91 KMT2A (0.36) KMT2ARORCKDRMCHR1ROCK2
SCHEMBL4481828 0.89 CCNB2 (0.33) KMT2ASIRT2
SCHEMBL4481832 0.89 CCNB2 (0.33) KMT2ASIRT2
SCHEMBL2567811 0.89 BACE1 (0.36)
SCHEMBL2567813 0.89 BACE1 (0.36)
SCHEMBL4477236 0.88 BACE1 (0.39) KDR

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.