SCHEMBL1615739

SCHEMBL1615739

c1ccc2c(c1)CC[C@H]2Nc1ccc2c(NCc3cnc[nH]3)cccc2n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.44
ADRA2C P18825 1/20 0.42
GBA1 P04062 2/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1B P35368 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PARP1 P09874 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KCNN3 Q9UGI6 1/20 0.36
TRPV1 Q8NER1 1/20 0.36

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) GBA1JAK2JAK3MEN1ALDH1A1
SCHEMBL1616433 0.83 GBA1 (0.39) GBA1JAK2JAK1TYK2JAK3
SCHEMBL1616286 0.82 PFKFB3 (0.37) GBA1JAK2JAK1TYK2JAK3
SCHEMBL1616564 0.82 TAAR1 (0.40) ADRA1AGBA1TAAR1JAK2JAK1
SCHEMBL1616542 0.81 GBA1 (0.40) GBA1JAK2JAK1TYK2JAK3
SCHEMBL1616104 0.81 HDAC6 (0.38) GBA1JAK2JAK1TYK2JAK3
SCHEMBL1616568 0.80 ADRA1A (0.38) ADRA1AADRA2CADRA1DADRA1BTAAR1
SCHEMBL1615636 0.80 NTRK1 (0.39) GBA1PARP1
SCHEMBL1616340 0.80 PDE10A (0.41) GBA1JAK2JAK1TYK2JAK3
SCHEMBL3844986 0.78 PDPK1 (0.47) 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 ADRA1A 120/4885ADRA2C 34/4885GBA1 662/4885

“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.