SCHEMBL2902657

SCHEMBL2902657

COc1ccccc1CNc1cccc2nc(NCc3ccc(C)o3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.47
SLC2A1 P11166 1/20 0.46
CYP1A2 P05177 8/20 0.43
CYP3A4 P08684 8/20 0.43
CYP2D6 P10635 8/20 0.43
CYP2C19 P33261 8/20 0.43
TSHR P16473 7/20 0.43
USP2 O75604 6/20 0.43
ALOX15 P16050 5/20 0.43
LMNA P02545 4/20 0.43
ADORA1 P30542 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 4/20 0.42
CYP2C9 P11712 6/20 0.42
HSD17B10 Q99714 5/20 0.42
ATM Q13315 1/20 0.42
CLK4 Q9HAZ1 3/20 0.41

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
SCHEMBL2908880 0.88 ACP1 (0.57) ACP1SLC2A1CYP1A2CYP3A4CYP2D6
SCHEMBL2901484 0.85 CYP3A4 (0.43) CYP3A4CYP2C19LMNAMAPK1CYP2C9
SCHEMBL2906948 0.84 ACP1 (0.53) ACP1SLC2A1CYP1A2CYP3A4CYP2D6
SCHEMBL2902338 0.82 ELANE (0.39) TSHRLMNAMAPK1HSD17B10SMN1; SMN2
SCHEMBL2906836 0.82 TSHR (0.40) TSHRALOX15LMNAMAPK1HSD17B10
SCHEMBL13685704 0.81 NCF1 (0.48) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL2908631 0.81 NPC1 (0.47) TSHRLMNAMAPK1HSD17B10MEN1
SCHEMBL2906805 0.81 NPC1 (0.46) SLC2A1TSHRALOX15LMNAMAPK1
SCHEMBL2906853 0.81 KDM4E (0.54) TSHRALOX15LMNAMAPK1HSD17B10
SCHEMBL2908205 0.81 NPC1 (0.41) TSHRALOX15LMNAMAPK1HSD17B10

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 4379/4885SLC2A1 2068/4885CYP1A2 27/4885

“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.