Sugi Predict

Sugi Predict / Compounds / SCHEMBL4504075

SCHEMBL4504075

SCHEMBL4504075

CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CCNT1 O60563 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ CCNA1 P78396 1/20 0.39
▸ MELK Q14680 1/20 0.39
▸ AAK1 Q2M2I8 1/20 0.38
▸ MAPK14 Q16539 1/20 0.37
▸ ABCB1 P08183 1/20 0.36
▸ MDM4 O15151 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ ESR2 Q92731 1/20 0.35

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
SCHEMBL4487321 0.93 CCNT1 (0.40) MEN1KMT2ACCNT1CCNA2CDK2
SCHEMBL4504792 0.92 MEN1 (0.38) MEN1KMT2ACCNT1CCNA2CDK2
SCHEMBL4499569 0.91 DRD4 (0.40) MEN1KMT2AAAK1ABCB1MDM4
SCHEMBL4490086 0.90 CETP (0.40) AAK1ABCB1ALDH1A1CHRM2CHRM4
SCHEMBL4496540 0.89 MELK (0.42) MELKAAK1ALDH1A1MAPTBACE1
SCHEMBL4496542 0.89 MELK (0.42) MELKAAK1ALDH1A1MAPTBACE1
SCHEMBL4501637 0.89 MELK (0.48) MELKAAK1ALDH1A1BACE1
SCHEMBL4501633 0.89 MELK (0.48) MELKAAK1ALDH1A1BACE1
SCHEMBL4492883 0.89 MELK (0.41) MELKAAK1ALDH1A1MAPTBACE1
SCHEMBL4492885 0.89 MELK (0.41) MELKAAK1ALDH1A1MAPTBACE1

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 MEN1 1288/4885KMT2A 3530/4885CCNT1 147/4885

“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.