SCHEMBL1616340

SCHEMBL1616340

Cn1cc(CNc2cccc3nc(N[C@@H]4CCc5ccccc54)ccc23)cn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.41
GBA1 P04062 1/20 0.38
P2RX7 Q99572 2/20 0.38
KDM1A O60341 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 3/20 0.36
PFKFB3 Q16875 2/20 0.36
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
BRD4 O60885 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL1616589 0.83 GBA1 (0.50) GBA1JAK2JAK3CYP3A4CYP2C9
SCHEMBL1616542 0.83 GBA1 (0.40) GBA1P2RX7JAK2JAK1TYK2
SCHEMBL1615636 0.82 NTRK1 (0.39) GBA1CYP3A4CYP2C9PFKFB3
SCHEMBL1616433 0.81 GBA1 (0.39) GBA1P2RX7JAK2JAK1TYK2
SCHEMBL1615739 0.80 ADRA1A (0.44) GBA1JAK2JAK1TYK2JAK3
SCHEMBL2248366 0.79 GBA1 (0.39) GBA1P2RX7JAK2JAK1TYK2
SCHEMBL3844986 0.79 PDPK1 (0.47) GBA1JAK2JAK1TYK2JAK3
SCHEMBL1616286 0.79 PFKFB3 (0.37) GBA1JAK2JAK1TYK2JAK3
SCHEMBL1616564 0.77 TAAR1 (0.40) GBA1JAK2JAK1TYK2JAK3
SCHEMBL1616104 0.76 HDAC6 (0.38) GBA1JAK2JAK1TYK2JAK3

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 7 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
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 US 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 PDE10A 311/4885GBA1 662/4885P2RX7 206/4885

“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.