SCHEMBL2901745

SCHEMBL2901745

COc1ccccc1CNc1ccc2c(NCc3c[nH]nn3)cccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.48
ATM Q13315 1/20 0.45
SLC2A1 P11166 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 10/20 0.43
CYP3A4 P08684 10/20 0.43
CYP2D6 P10635 10/20 0.43
CYP2C19 P33261 10/20 0.43
TSHR P16473 8/20 0.43
USP2 O75604 7/20 0.43
LMNA P02545 7/20 0.43
ALOX15 P16050 6/20 0.43
HSD17B10 Q99714 5/20 0.43
CYP2C9 P11712 6/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HIF1A Q16665 1/20 0.42
MAPK1 P28482 4/20 0.41
CLK4 Q9HAZ1 4/20 0.41
ADORA1 P30542 1/20 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 0.89 ACP1 (0.57) ACP1ATMSLC2A1L3MBTL1CYP1A2
SCHEMBL2905014 0.85 ACP1 (0.49) ACP1ATMSLC2A1L3MBTL1CYP1A2
SCHEMBL2906948 0.85 ACP1 (0.53) ACP1ATMSLC2A1L3MBTL1CYP1A2
SCHEMBL2908075 0.82 ACP1 (0.48) ACP1ATMSLC2A1L3MBTL1CYP1A2
SCHEMBL2901995 0.81 ACP1 (0.49) ACP1ATMSLC2A1L3MBTL1CYP1A2
SCHEMBL2253396 0.81 CYP1A2 (0.55) ACP1ATMSLC2A1CYP1A2CYP3A4
SCHEMBL2906929 0.80 HRH4 (0.47) ACP1ATMSLC2A1L3MBTL1CYP1A2
SCHEMBL2903182 0.80 ACP1 (0.55) ACP1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2901520 0.79 ACP1 (0.46) ACP1ATMSLC2A1L3MBTL1CYP1A2
SCHEMBL2906946 0.79 ACP1 (0.46) ACP1ATMSLC2A1L3MBTL1CYP1A2

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 4379/4885ATM 925/4885SLC2A1 2068/4885

“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.