SCHEMBL3404986

SCHEMBL3404986

COc1ccccc1CNc1nc2cc[c]cc2cc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.51
RPS6KB1 P23443 2/20 0.51
JAK3 P52333 3/20 0.49
JAK2 O60674 2/20 0.49
JAK1 P23458 2/20 0.49
TYK2 P29597 1/20 0.49
STAT6 P42226 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ASPH Q12797 1/20 0.44
KDM8 Q8N371 1/20 0.44
MAPK1 P28482 1/20 0.43
LMNA P02545 3/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EGFR P00533 1/20 0.41
USP2 O75604 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41

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
SCHEMBL3415062 0.74 IRAK4 (0.39) KDM4EMAPK1LMNATP53MAPT
SCHEMBL20844421 0.73 JAK3 (0.62) AURKARPS6KB1JAK3JAK2JAK1
SCHEMBL29622880 0.73 JAK3 (0.62) AURKARPS6KB1JAK3JAK2JAK1
SCHEMBL3431606 0.72 IRAK4 (0.38) AURKARPS6KB1EGFR
SCHEMBL3429698 0.71 IRAK4 (0.39) AURKARPS6KB1MEN1KMT2A
SCHEMBL3057880 0.68 KDM4E (0.55) KDM4EMAPTMEN1KMT2ATSHR
SCHEMBL2478353 0.68 KDM4E (0.57) AURKARPS6KB1JAK3JAK2JAK1
SCHEMBL664575 0.67 AURKA (1.00) AURKARPS6KB1
SCHEMBL3409290 0.67 MAPK1 (0.34) AURKARPS6KB1MAPK1
SCHEMBL14658623 0.67 MAPK8 (0.67) JAK3JAK2JAK1TYK2STAT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350028-B2 2-aminoquinolines HOFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
EP-2254666-A1 2-AMINOQUINOLINES AS 5-HT5A RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-12-01 EP disclosed
WO-2009112395-A1 2-AMINOQUINOLINES AS 5-HT5A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-17 WO disclosed
US-20090233927-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-17 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-20090233927-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2B AURKA 4745/4885RPS6KB1 768/4885JAK3 2407/4885

“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.