SCHEMBL2902828

SCHEMBL2902828

COCCOc1cccc(CNc2cccc3nc(NCc4ccc(C)o4)ccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.41
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
MAPK1 P28482 2/20 0.37
APP P05067 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
EGFR P00533 1/20 0.36
IGF1R P08069 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ROCK1 Q13464 1/20 0.35

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
SCHEMBL2906977 0.88 PTPN22 (0.36) ACP1MAPK1SMN1; SMN2LMNAHTT
SCHEMBL2906684 0.86 SMN1; SMN2 (0.39) ACP1MAPK1SMN1; SMN2LMNAHTT
SCHEMBL13685704 0.83 NCF1 (0.48) MAPK1SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL2907784 0.79 NTRK1 (0.41) MAPK1APPSMN1; SMN2LMNAHTT
SCHEMBL2903146 0.78 POLB (0.46) ADORA2AADORA2BMAPK1SMN1; SMN2ALDH1A1
SCHEMBL2904762 0.78 NPC1 (0.43) SMN1; SMN2ALDH1A1KDM4EHPGDNPC1
SCHEMBL2908205 0.78 NPC1 (0.41) MAPK1SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL2901754 0.78 MEN1 (0.43) ADORA3MAPK1APPSMN1; SMN2LMNA
SCHEMBL2907397 0.78 TRPC5 (0.37) MAPK1SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL2908289 0.77 SGMS2 (0.47) ADORA3ADORA2AADORA2BADORA1MAPK1

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 ACP1 4379/4885AURKA 900/4885RPS6KB1 1144/4885

“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.