Sugi Predict

Sugi Predict / Compounds / SCHEMBL4496942

SCHEMBL4496942

SCHEMBL4496942

CN(C(=O)CCN1CCNCC1)c1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ KHK P50053 1/20 0.35
▸ PAK1 Q13153 1/20 0.35
▸ MELK Q14680 1/20 0.35
▸ CCR5 P51681 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ FLT3 P36888 3/20 0.33
▸ FLT1 P17948 3/20 0.33
▸ KDR P35968 3/20 0.33
▸ CSF1R P07333 2/20 0.33
▸ PDGFRB P09619 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ FGFR1 P11362 2/20 0.33
▸ PDGFRA P16234 2/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ FYN P06241 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
SCHEMBL4496948 1.00 BACE1 (0.36) BACE1OPRM1OPRD1KHKPAK1
SCHEMBL4502845 0.93 MELK (0.41) BACE1OPRM1OPRD1PAK1MELK
SCHEMBL4502848 0.93 MELK (0.41) BACE1OPRM1OPRD1PAK1MELK
SCHEMBL4492799 0.92 MELK (0.40) BACE1MELKCCR5FLT1KDR
SCHEMBL4492795 0.92 MELK (0.40) BACE1MELKCCR5FLT1KDR
SCHEMBL4496348 0.91 SLC2A1 (0.36) KHKPAK1ALDH1A1AAK1
SCHEMBL4496353 0.91 SLC2A1 (0.36) KHKPAK1ALDH1A1AAK1
SCHEMBL2570069 0.89 AAK1 (0.44) OPRD1KHKPAK1MELKFLT1
SCHEMBL2570066 0.89 AAK1 (0.44) OPRD1KHKPAK1MELKFLT1
SCHEMBL3147601 0.88 SENP1 (0.41) ALDH1A1AAK1

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 BACE1 1615/4885OPRM1 612/4885OPRD1 683/4885

“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.