Sugi Predict

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SCHEMBL4504209

SCHEMBL4504209

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 1/20 0.38
▸ LRRK2 Q5S007 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.34
▸ CFTR P13569 2/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ LIMK1 P53667 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ KDR P35968 2/20 0.33
▸ KIT P10721 1/20 0.33
▸ FLT4 P35916 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ TGM2 P21980 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ MAPK3 P27361 1/20 0.32
▸ PLK1 P53350 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ BACE1 P56817 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
SCHEMBL4504212 1.00 ADRA2C (0.38) ADRA2CLRRK2RXFP1CFTRROCK2
SCHEMBL4504536 0.95 ROCK2 (0.37) LRRK2RXFP1ROCK2LIMK1IDO1
SCHEMBL4504528 0.95 ROCK2 (0.37) LRRK2RXFP1ROCK2LIMK1IDO1
SCHEMBL4485494 0.92 KDM4E (0.37) LRRK2RXFP1CFTRLIMK1IDO1
SCHEMBL4485489 0.92 KDM4E (0.37) LRRK2RXFP1CFTRLIMK1IDO1
SCHEMBL4481431 0.91 LRRK2 (0.35) LRRK2RXFP1CFTRIDO1TDO2
SCHEMBL4481433 0.91 LRRK2 (0.35) LRRK2RXFP1CFTRIDO1TDO2
SCHEMBL4491553 0.90 LIMK1 (0.37) LRRK2RXFP1LIMK1IDO1TDO2
SCHEMBL4491675 0.90 LRRK2 (0.36) LRRK2RXFP1IDO1TDO2KDR
SCHEMBL4491548 0.90 LIMK1 (0.37) LRRK2RXFP1LIMK1IDO1TDO2

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 ADRA2C 289/4885LRRK2 168/4885RXFP1 425/4885

“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.