SCHEMBL1615365

SCHEMBL1615365

c1cncc(CNc2cccc3nc(NC4COc5ccccc54)ccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
CYP1A2 P05177 6/20 0.41
CYP3A4 P08684 6/20 0.41
CYP2C19 P33261 6/20 0.41
CYP2D6 P10635 5/20 0.41
HSD17B10 Q99714 4/20 0.41
KDM4E B2RXH2 4/20 0.41
CYP2C9 P11712 3/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 5/20 0.40
PDE5A O76074 2/20 0.40
POLB P06746 1/20 0.40
LTA4H P09960 2/20 0.40
MAPK1 P28482 2/20 0.39
CLK4 Q9HAZ1 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GBA1 P04062 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 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
SCHEMBL1616364 0.84 CCNE2 (0.39) KDM4EALDH1A1MAPK1CLK4PKM
SCHEMBL1616589 0.83 GBA1 (0.50) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL1615578 0.74 CYP1A2 (0.45) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL2901976 0.72 CYP1A2 (0.53) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL2908896 0.71 LMNA (0.41) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL2903146 0.71 POLB (0.46) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL2906811 0.69 CYP1A2 (0.52) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL1615436 0.69 MAPT (0.36) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL2907882 0.69 POLB (0.44) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL1615430 0.69 SLC40A1 (0.35) MAPTKDM4ETSHRALDH1A1MAPK1

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 MAPT 866/4885CYP1A2 322/4885CYP3A4 541/4885

“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.