SCHEMBL4495890

SCHEMBL4495890

CN(C)CCN(C(=O)c1cccnc1)c1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 2/20 0.36
GFER P55789 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
BACE1 P56817 1/20 0.36
HSD17B10 Q99714 1/20 0.35
TGM2 P21980 2/20 0.35
KCNA5 P22460 1/20 0.35
KCNH2 Q12809 1/20 0.35
PDPK1 O15530 1/20 0.35
AKT2 P31751 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
MLYCD O95822 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
SCHEMBL4495891 1.00 HTT (0.40) HTTGAATSHRMAPTGFER
SCHEMBL4495013 0.92 BACE1 (0.37) MAPTALDH1A1KDM4EHPGDBACE1
SCHEMBL4495018 0.92 BACE1 (0.37) MAPTALDH1A1KDM4EHPGDBACE1
SCHEMBL4499508 0.92 BACE1 (0.41) MAPTALDH1A1HPGDBACE1TGM2
SCHEMBL4499513 0.92 BACE1 (0.41) MAPTALDH1A1HPGDBACE1TGM2
SCHEMBL4493504 0.91 TGM2 (0.44) HTTGAATSHRMAPTGFER
SCHEMBL4493501 0.91 TGM2 (0.44) HTTGAATSHRMAPTGFER
SCHEMBL2563992 0.89 HTT (0.39) HTTGAATSHRMAPTGFER
SCHEMBL2563990 0.89 HTT (0.39) HTTGAATSHRMAPTGFER
SCHEMBL480500 0.88 ALDH1A1 (0.40) HTTGAATSHRMAPTGFER

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 4 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
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 EP disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR HTT 3112/4885GAA 4394/4885TSHR 503/4885

“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.