Sugi Predict

Sugi Predict / Compounds / SCHEMBL1571850

SCHEMBL1571850

SCHEMBL1571850

O=c1[nH]ccc2cc(N[C@H]3CC[C@@H](N(C4CC4)C4CC4)CC3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 1/20 0.49
▸ FLT3 P36888 1/20 0.49
▸ ROCK2 O75116 8/20 0.43
▸ ROCK1 Q13464 11/20 0.42
▸ PRKCD Q05655 2/20 0.42
▸ PRKACA P17612 1/20 0.42
▸ PRKG1 Q13976 1/20 0.42
▸ PKN1 Q16512 1/20 0.42
▸ PKN2 Q16513 1/20 0.42
▸ AAK1 Q2M2I8 1/20 0.42
▸ CDC42BPA Q5VT25 1/20 0.42
▸ Q6ZSR9 Q6ZSR9 1/20 0.42
▸ BMP2K Q9NSY1 1/20 0.42
▸ CDC42BPB Q9Y5S2 1/20 0.42
▸ IP6K1 Q92551 1/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ PRKX P51817 1/20 0.39
▸ PRKCE Q02156 1/20 0.39
▸ PRKD1 Q15139 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39

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
SCHEMBL1571849 1.00 KIT (0.49) KITFLT3ROCK2ROCK1PRKCD
SCHEMBL25834155 0.92 KIT (0.52) KITFLT3ROCK2ROCK1PRKCD
SCHEMBL1572360 0.88 KIT (0.49) KITFLT3ROCK2ROCK1PRKCD
SCHEMBL1572362 0.88 KIT (0.49) KITFLT3ROCK2ROCK1PRKCD
SCHEMBL1571494 0.87 KIT (0.46) KITFLT3ROCK2ROCK1PRKCD
SCHEMBL1571493 0.87 KIT (0.46) KITFLT3ROCK2ROCK1PRKCD
SCHEMBL1571628 0.85 FLT3 (0.60) KITFLT3ROCK2ROCK1PRKCD
SCHEMBL1571629 0.85 FLT3 (0.60) KITFLT3ROCK2ROCK1PRKCD
SCHEMBL1572022 0.85 FLT3 (0.60) KITFLT3ROCK2ROCK1PRKCD
SCHEMBL1571447 0.85 KIT (0.44) KITFLT3ROCK2ROCK1PRKCD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125744-B1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE AND ISOQUINOLINONE DERIVATIVES SANOFI AVENTIS (FR) 2011-04-13 — — EP disclosed
US-20100056568-A1 Cycloalkylamine substituted isoquinolone and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-03-04 — — US disclosed
US-20100056568-A1 Cycloalkylamine substituted isoquinolone and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-03-04 — — US disclosed
US-20100056568-A1 Cycloalkylamine substituted isoquinolone and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-03-04 — — US disclosed
EP-2125744-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE AND ISOQUINOLINONE DERIVATIVES Sanofi-Aventis (FR) 2009-12-02 — — EP disclosed
WO-2008077553-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE AND ISOQUINOLINONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 — — 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-20100056568-A1 Cycloalkylamine substituted isoquinolone and isoquinolinone derivatives MYLK2, MYLK, MYLK3 KIT 3417/4885FLT3 3367/4885ROCK2 12/4885

“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.