Sugi Predict

Sugi Predict / Compounds / SCHEMBL4485359

SCHEMBL4485359

SCHEMBL4485359

CN(C)CCCNC(=O)c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 3/20 0.46
▸ TMEM97 Q5BJF2 4/20 0.45
▸ SIGMAR1 Q99720 4/20 0.45
▸ CHEK1 O14757 1/20 0.43
▸ DAPK3 O43293 1/20 0.43
▸ PRKD3 O94806 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ PAK4 O96013 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ LCK P06239 1/20 0.43
▸ RET P07949 1/20 0.43
▸ MET P08581 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ LTK P29376 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ MAPK9 P45984 1/20 0.43

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
SCHEMBL4485365 1.00 NAMPT (0.46) NAMPTTMEM97SIGMAR1CHEK1DAPK3
SCHEMBL4489124 0.95 TMEM97 (0.43) NAMPTTMEM97SIGMAR1KDRMAPK8
SCHEMBL4489121 0.95 TMEM97 (0.43) NAMPTTMEM97SIGMAR1KDRMAPK8
SCHEMBL4494834 0.92 TMEM97 (0.46) TMEM97SIGMAR1CHEK1DAPK3PRKD3
SCHEMBL4494839 0.92 TMEM97 (0.46) TMEM97SIGMAR1CHEK1DAPK3PRKD3
SCHEMBL5272226 0.91 NAMPT (0.47) NAMPTTMEM97SIGMAR1CHEK1DAPK3
SCHEMBL4493683 0.89 ALDH1A1 (0.39) NAMPTTMEM97SIGMAR1CHEK1DAPK3
SCHEMBL4493678 0.89 ALDH1A1 (0.39) NAMPTTMEM97SIGMAR1CHEK1DAPK3
SCHEMBL3850419 0.89 PDGFRB (0.48) NAMPTSIGMAR1CHEK1DAPK3PRKD3
SCHEMBL4504056 0.87 SIGMAR1 (0.47) NAMPTTMEM97SIGMAR1CHEK1DAPK3

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 NAMPT 3483/4885TMEM97 2293/4885SIGMAR1 916/4885

“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.