SCHEMBL3406201

SCHEMBL3406201

COc1ccccc1CNc1ccc2cc(NC(=O)NC3CCN(C)CC3)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.49
IKBKB O14920 1/20 0.49
AURKA O14965 1/20 0.49
PAK4 O96013 1/20 0.49
CHEK2 O96017 1/20 0.49
ABL1 P00519 1/20 0.49
EGFR P00533 1/20 0.49
INSR P06213 1/20 0.49
LCK P06239 1/20 0.49
FGFR1 P11362 1/20 0.49
SELP P16109 1/20 0.49
CSNK2A2 P19784 1/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
MAPK1 P28482 1/20 0.49
AKT1 P31749 1/20 0.49
CSNK1D P48730 1/20 0.49
MAPKAPK2 P49137 1/20 0.49
GSK3B P49841 1/20 0.49
CSNK2B P67870 1/20 0.49

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
SCHEMBL3402633 0.92 EPHX2 (0.44) CHEK1IKBKBAURKAPAK4CHEK2
SCHEMBL3407582 0.91 SMN1; SMN2 (0.50) CHEK1IKBKBAURKAPAK4CHEK2
SCHEMBL3408293 0.91 SMN1; SMN2 (0.50) CHEK1IKBKBAURKAPAK4CHEK2
SCHEMBL3407930 0.91 ALDH1A1 (0.49) CHEK1IKBKBAURKAPAK4CHEK2
SCHEMBL3403225 0.90 SMN1; SMN2 (0.49) CHEK1IKBKBAURKAPAK4CHEK2
SCHEMBL3402689 0.90 EPHX2 (0.51) SMN1; SMN2NPSR1EPHX2HIF1A
SCHEMBL3401779 0.90 EPHX2 (0.51) SMN1; SMN2NPSR1EPHX2HIF1A
SCHEMBL3404931 0.88 EPHX2 (0.49) SMN1; SMN2NPSR1EPHX2
SCHEMBL3405744 0.83 MEN1 (0.50) SMN1; SMN2MAPTKDM4EPKMHTT
SCHEMBL3267206 0.81 HIF1A (0.57) MAPK1CSNK1DSMN1; SMN2HIF1AMAPT

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
EP-2254666-A1 2-AMINOQUINOLINES AS 5-HT5A RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-12-01 EP claimed
WO-2009112395-A1 2-AMINOQUINOLINES AS 5-HT5A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-17 WO claimed
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 CHEK1 3120/4885IKBKB 3035/4885AURKA 4745/4885

“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.