SCHEMBL2903153

SCHEMBL2903153

c1cc(Nc2ccc3c(NCc4ccc5[nH]cnc5c4)cccc3n2)cc(C2CC2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 2/20 0.35
WDR48 Q8TAF3 2/20 0.35
AURKA O14965 3/20 0.34
RPS6KB1 P23443 1/20 0.34
ULK1 O75385 1/20 0.34
PDK1 Q15118 1/20 0.34
ULK2 Q8IYT8 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.33
PAK4 O96013 1/20 0.33
PAK1 Q13153 1/20 0.33
NTRK1 P04629 1/20 0.33
BTK Q06187 1/20 0.31
ACP1 P24666 2/20 0.31
FBP1 P09467 1/20 0.31
EPHB2 P29323 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
IP6K1 Q92551 1/20 0.31
ABL1 P00519 1/20 0.30
APP P05067 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
SCHEMBL2901759 0.82 MAPT (0.32) USP1WDR48AURKARPS6KB1NTRK1
SCHEMBL2904343 0.79 BTK (0.36) PAK4PAK1BTKACP1APP
SCHEMBL2907384 0.75 QPCT (0.34) KDRNTRK1
SCHEMBL2908139 0.75 KDR (0.34) USP1WDR48KDR
SCHEMBL2907397 0.73 TRPC5 (0.37) KDR
SCHEMBL2908218 0.71 QPCT (0.43) USP1WDR48KDRNTRK1ACP1
SCHEMBL2542542 0.69 IP6K1 (0.49) KDRIP6K1ABL1
SCHEMBL2901922 0.67 MAPT (0.40)
SCHEMBL2901697 0.66 QPCT (0.47) KDRACP1ABL1
SCHEMBL15217634 0.65 PAK1 (0.69) AURKAPAK4PAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825253-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2010-11-02 US claimed
EP-2076495-B1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES HOFFMANN LA ROCHE (CH) 2010-08-18 EP claimed
EP-2076495-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F.HOFFMANN-LA ROCHE AG (CH) 2009-07-08 EP claimed
WO-2008037626-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-03 WO claimed
US-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-04-03 US claimed
US-7825253-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2010-11-02 US disclosed
EP-2076495-B1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES HOFFMANN LA ROCHE (CH) 2010-08-18 EP disclosed
EP-2076495-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F.HOFFMANN-LA ROCHE AG (CH) 2009-07-08 EP disclosed
WO-2008037626-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-03 WO disclosed
US-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-04-03 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-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES AR, ADRA2C, RCC2 USP1 3445/4885WDR48 4347/4885AURKA 900/4885

“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.