Sugi Predict

Sugi Predict / Compounds / SCHEMBL4490419

SCHEMBL4490419

SCHEMBL4490419

CCNCc1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccc(NC(=O)OC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.37
▸ KDR P35968 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TGM2 P21980 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HDAC1 Q13547 2/20 0.34
▸ GSK3B P49841 4/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ AURKA O14965 2/20 0.33
▸ FLT3 P36888 2/20 0.33
▸ AURKB Q96GD4 2/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ TP53 P04637 2/20 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
SCHEMBL4490422 1.00 BACE1 (0.40) BACE1ALDH1A1KDRLMNAHPGD
SCHEMBL4486442 0.89 BACE1 (0.40) BACE1ALDH1A1KDRTGM2MEN1
SCHEMBL4487580 0.89 MAPT (0.37) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL4487584 0.89 MAPT (0.37) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL4486437 0.89 BACE1 (0.40) BACE1ALDH1A1KDRTGM2MEN1
SCHEMBL223529 0.88 BACE1 (0.41) BACE1ALDH1A1TGM2MEN1KMT2A
SCHEMBL223530 0.88 BACE1 (0.41) BACE1ALDH1A1TGM2MEN1KMT2A
SCHEMBL4497100 0.86 BACE1 (0.40) BACE1KDRTGM2OPRM1OPRD1
SCHEMBL4497105 0.86 BACE1 (0.40) BACE1KDRTGM2OPRM1OPRD1
SCHEMBL3936210 0.83 MAPT (0.37) BACE1ALDH1A1KDRLMNAHPGD

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 1615/4885ALDH1A1 2036/4885KDR 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.