SCHEMBL1616364

SCHEMBL1616364

Fc1cc(F)cc(CNc2cccc3nc(NC4COc5ccccc54)ccc23)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 2/20 0.39
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
NTRK1 P04629 3/20 0.37
USP1 O94782 4/20 0.35
WDR48 Q8TAF3 4/20 0.35
APP P05067 2/20 0.35
MAOB P27338 2/20 0.34
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
PKM P14618 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.32
NTRK3 Q16288 1/20 0.31
NTRK2 Q16620 1/20 0.31

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
SCHEMBL1615365 0.84 MAPT (0.41) CLK4PKMKDM4EALDH1A1SMN1; SMN2
SCHEMBL1615636 0.83 NTRK1 (0.39) CCNE2CCNE1CDK2NTRK1APP
SCHEMBL1615436 0.81 MAPT (0.36) PKMALDH1A1
SCHEMBL1616190 0.80 CCNE2 (0.42) CCNE2CCNE1CDK2NTRK1USP1
SCHEMBL1615967 0.78 APP (0.41) CCNE2CCNE1CDK2NTRK1USP1
SCHEMBL1616156 0.76 MAPT (0.45) KDM4EALDH1A1
SCHEMBL1615430 0.75 SLC40A1 (0.35) PKMKDM4EALDH1A1MAPK1
SCHEMBL1615738 0.74 ACP1 (0.39) NTRK1USP1WDR48MAOB
SCHEMBL1615372 0.72 PKM (0.39) PKMKDM4EALDH1A1MAPK1
SCHEMBL2907784 0.70 NTRK1 (0.41) CCNE2CCNE1CDK2NTRK1USP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923561-B2 Quinolines HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US claimed
EP-2099763-B1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-08-11 EP claimed
EP-2099763-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-09-16 EP claimed
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 US claimed
WO-2008068157-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO claimed
US-7923561-B2 Quinolines HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
EP-2099763-B1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
EP-2099763-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-09-16 EP disclosed
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 US disclosed
WO-2008068157-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 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-20080146567-A1 QUINOLINES HTR5A, HTR2B, HTR2C CCNE2 1325/4885CCNE1 2409/4885CDK2 2605/4885

“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.