SCHEMBL1615908

SCHEMBL1615908

c1cncc(-c2cccc3nc(NC4CCc5ccccc54)ccc23)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 12/20 0.62
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
NSD2 O96028 2/20 0.39
PFKFB3 Q16875 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CDC25B P30305 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 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
SCHEMBL1615905 1.00 GBA1 (0.62) GBA1JAK2JAK3CYP11B1CYP11B2
SCHEMBL1616241 0.90 GBA1 (0.50) GBA1ALDH1A1TSHRNSD2PFKFB3
SCHEMBL1616249 0.90 GBA1 (0.50) GBA1ALDH1A1TSHRNSD2PFKFB3
SCHEMBL1616394 0.81 PFKFB3 (0.46) GBA1ALDH1A1TSHRPFKFB3CYP3A4
SCHEMBL1616160 0.81 PFKFB3 (0.46) GBA1ALDH1A1TSHRNSD2PFKFB3
SCHEMBL1616397 0.81 PFKFB3 (0.46) GBA1ALDH1A1TSHRPFKFB3CYP3A4
SCHEMBL2245619 0.80 GBA1 (0.47) GBA1PFKFB3
SCHEMBL1616589 0.79 GBA1 (0.50) GBA1JAK2JAK3ALDH1A1TSHR
SCHEMBL1615470 0.79 GBA1 (0.49) GBA1JAK2JAK3ALDH1A1PFKFB3
SCHEMBL1615467 0.79 GBA1 (0.49) GBA1JAK2JAK3ALDH1A1PFKFB3

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
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
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
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 US 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 GBA1 662/4885JAK2 1774/4885JAK3 1889/4885

“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.