Sugi Predict

Sugi Predict / Compounds / SCHEMBL4504528

SCHEMBL4504528

SCHEMBL4504528

CC(=O)N(CCN)c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.37
▸ LIMK1 P53667 1/20 0.37
▸ LRRK2 Q5S007 2/20 0.36
▸ CYP3A4 P08684 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ KDR P35968 5/20 0.33
▸ FLT4 P35916 2/20 0.33
▸ FLT3 P36888 2/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ TGM2 P21980 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ AHR P35869 1/20 0.32

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
SCHEMBL4504536 1.00 ROCK2 (0.37) ROCK2LIMK1LRRK2CYP3A4RXFP1
SCHEMBL4504212 0.95 ADRA2C (0.38) ROCK2LIMK1LRRK2RXFP1IDO1
SCHEMBL4504209 0.95 ADRA2C (0.38) ROCK2LIMK1LRRK2RXFP1IDO1
SCHEMBL4491675 0.91 LRRK2 (0.36) LRRK2RXFP1IDO1TDO2KDR
SCHEMBL4491680 0.91 LRRK2 (0.36) LRRK2RXFP1IDO1TDO2KDR
SCHEMBL4491553 0.91 LIMK1 (0.37) LIMK1LRRK2RXFP1IDO1TDO2
SCHEMBL4491548 0.91 LIMK1 (0.37) LIMK1LRRK2RXFP1IDO1TDO2
SCHEMBL4560169 0.90 LRRK2 (0.36) LRRK2RXFP1IDO1TDO2KDR
SCHEMBL4560167 0.90 LRRK2 (0.36) LRRK2RXFP1IDO1TDO2KDR
SCHEMBL4485494 0.90 KDM4E (0.37) LIMK1LRRK2RXFP1IDO1TDO2

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 ROCK2 392/4885LIMK1 312/4885LRRK2 168/4885

“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.