SCHEMBL2908896

SCHEMBL2908896

CC1(C)Cc2cccc(Nc3ccc4c(NCc5cccnc5)cccc4n3)c2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
MAPT P10636 7/20 0.39
CYP1A2 P05177 5/20 0.37
CYP3A4 P08684 5/20 0.37
CYP2D6 P10635 5/20 0.37
CYP2C19 P33261 5/20 0.37
ALDH1A1 P00352 4/20 0.37
PDE5A O76074 2/20 0.37
POLB P06746 2/20 0.37
CYP2C9 P11712 1/20 0.37
HSD17B10 Q99714 4/20 0.37
TSHR P16473 3/20 0.37
MAPK1 P28482 2/20 0.37
CLK4 Q9HAZ1 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALOX15 P16050 2/20 0.37
GLA P06280 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36

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
SCHEMBL3951729 0.91 GBA1 (0.39) LMNAMAPTPDE5ANAMPT
SCHEMBL2909137 0.81 KDM4E (0.38) LMNAKDM4EKMT2AMEN1NAMPT
SCHEMBL2904967 0.80 NPC1 (0.32) LMNAALDH1A1TSHRMAPK1KDM4E
SCHEMBL2908139 0.79 KDR (0.34) ALDH1A1TSHRMAPK1KDM4EALOX15
SCHEMBL2904724 0.78 HCRTR1 (0.33) MAPK1ALOX15KMT2A
SCHEMBL3951727 0.76 COPS5 (0.38) LMNAMAPTPOLBMAPK1ALOX15
SCHEMBL2907882 0.76 POLB (0.44) LMNAMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL1616589 0.73 GBA1 (0.50) MAPTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2903146 0.72 POLB (0.46) MAPTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1615365 0.71 MAPT (0.41) MAPTCYP1A2CYP3A4CYP2D6CYP2C19

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 LMNA 2311/4885MAPT 1716/4885CYP1A2 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.