Sugi Predict

Sugi Predict / Compounds / SCHEMBL4498235

SCHEMBL4498235

SCHEMBL4498235

CN(C(=O)CN1CCNCC1)c1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 1/20 0.42
▸ AAK1 Q2M2I8 1/20 0.38
▸ SLC2A1 P11166 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ GFER P55789 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MCL1 Q07820 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TACR1 P25103 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ RET P07949 1/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ FGFR1 P11362 1/20 0.34

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
SCHEMBL4498230 1.00 DRD4 (0.42) DRD4AAK1SLC2A1ALDH1A1MAPT
SCHEMBL4482689 0.97 DRD4 (0.40) DRD4AAK1SLC2A1ALDH1A1MAPT
SCHEMBL4482686 0.97 DRD4 (0.40) DRD4AAK1SLC2A1ALDH1A1MAPT
SCHEMBL4489310 0.94 DRD4 (0.43) DRD4AAK1ALDH1A1MAPTGFER
SCHEMBL4489305 0.94 DRD4 (0.43) DRD4AAK1ALDH1A1MAPTGFER
SCHEMBL4490929 0.93 DRD4 (0.43) DRD4AAK1ALDH1A1MAPTGFER
SCHEMBL4490925 0.93 DRD4 (0.43) DRD4AAK1ALDH1A1MAPTGFER
SCHEMBL4496353 0.92 SLC2A1 (0.36) DRD4AAK1SLC2A1ALDH1A1MAPT
SCHEMBL4496348 0.92 SLC2A1 (0.36) DRD4AAK1SLC2A1ALDH1A1MAPT
SCHEMBL4485414 0.92 AAK1 (0.46) DRD4AAK1ALDH1A1MAPTGFER

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 claimed
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 DRD4 1051/4885AAK1 1080/4885SLC2A1 1505/4885

“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.