SCHEMBL2906853

SCHEMBL2906853

Cc1ccc(CNc2ccc3c(NCc4ccccn4)cccc3n2)o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
HTT P42858 3/20 0.53
RAB9A P51151 3/20 0.53
HPGD P15428 3/20 0.53
HSD17B10 Q99714 3/20 0.53
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46
APP P05067 1/20 0.44
KCNH2 Q12809 2/20 0.41
PDE5A O76074 2/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 1/20 0.39
SUMO3 P55854 1/20 0.39

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
SCHEMBL2907467 0.87 NPC1 (0.43) KDM4EHTTRAB9AHPGDHSD17B10
SCHEMBL2904364 0.87 NPC1 (0.42) KDM4EHTTRAB9AHPGDHSD17B10
SCHEMBL2902477 0.86 KDM4E (0.47) KDM4EHTTRAB9AHPGDHSD17B10
SCHEMBL2907277 0.83 NPC1 (0.42) KDM4EHTTRAB9AHPGDHSD17B10
SCHEMBL2906805 0.83 NPC1 (0.46) KDM4EHTTRAB9AHPGDHSD17B10
SCHEMBL2908205 0.83 NPC1 (0.41) KDM4EHTTRAB9AHPGDHSD17B10
SCHEMBL2902503 0.83 NPC1 (0.41) KDM4EHTTRAB9AHPGDHSD17B10
SCHEMBL2901765 0.83 NPC1 (0.45) KDM4EHTTRAB9AHPGDHSD17B10
SCHEMBL2901768 0.82 NPC1 (0.39) KDM4EHTTRAB9AHPGDHSD17B10
SCHEMBL2908410 0.82 NPC1 (0.46) KDM4EHTTRAB9AHPGDHSD17B10

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 KDM4E 1488/4885HTT 586/4885RAB9A 1336/4885

“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.