SCHEMBL3409290

SCHEMBL3409290

NC(=O)c1cc2c[c]ccc2nc1NC1COc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.34
IKBKB O14920 1/20 0.33
AURKA O14965 3/20 0.32
RPS6KB1 P23443 3/20 0.32
SYK P43405 3/20 0.31
AURKB Q96GD4 1/20 0.31
P2RX7 Q99572 2/20 0.31
TRPM8 Q7Z2W7 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
SSTR4 P31391 1/20 0.30

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 0.83 IRAK4 (0.39) MAPK1ADRB2ADRB3ADRA1DADRA1A
SCHEMBL3429529 0.82 AURKA (0.51) MAPK1AURKARPS6KB1AURKB
SCHEMBL3431331 0.73 AURKA (0.38) MAPK1AURKARPS6KB1SYKAURKB
SCHEMBL3428700 0.73 AURKA (0.40) AURKARPS6KB1AURKB
SCHEMBL3431880 0.73 AURKA (0.38) AURKARPS6KB1SYKAURKB
SCHEMBL3431606 0.71 IRAK4 (0.38) AURKARPS6KB1
SCHEMBL3429698 0.69 IRAK4 (0.39) AURKARPS6KB1AURKB
SCHEMBL2904936 0.68 AURKA (0.56) IKBKBAURKARPS6KB1AURKB
SCHEMBL3404986 0.67 AURKA (0.51) MAPK1AURKARPS6KB1
SCHEMBL3057880 0.66 KDM4E (0.55) IKBKB

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-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US claimed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 US claimed
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
EP-2262789-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP disclosed
WO-2009109477-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 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-20090227570-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2A MAPK1 3131/4885IKBKB 3991/4885AURKA 1160/4885

“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.