SCHEMBL2905375

SCHEMBL2905375

COc1cccc(OC)c1CNc1ccc2c(NCc3cccc4[nH]ccc34)cccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.42
SLC2A1 P11166 1/20 0.39
RET P07949 1/20 0.38
CYP1A2 P05177 4/20 0.38
CYP3A4 P08684 4/20 0.38
CYP2D6 P10635 4/20 0.38
CYP2C19 P33261 4/20 0.38
TSHR P16473 3/20 0.38
ALOX15 P16050 3/20 0.38
USP2 O75604 3/20 0.38
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HSD17B10 Q99714 2/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CYP2C9 P11712 2/20 0.37
HIF1A Q16665 1/20 0.37
ATM Q13315 1/20 0.36
PGK1 P00558 1/20 0.36
ADORA1 P30542 1/20 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
SCHEMBL2908075 0.94 ACP1 (0.48) ACP1SLC2A1CYP1A2CYP3A4CYP2D6
SCHEMBL2908507 0.83 MGLL (0.40) ACP1SLC2A1CYP1A2CYP3A4CYP2D6
SCHEMBL2908880 0.83 ACP1 (0.57) ACP1SLC2A1CYP1A2CYP3A4CYP2D6
SCHEMBL1616456 0.80 RET (0.36) ACP1SLC2A1RETCYP1A2CYP3A4
SCHEMBL2905014 0.80 ACP1 (0.49) ACP1SLC2A1CYP1A2CYP3A4CYP2D6
SCHEMBL2902338 0.80 ELANE (0.39) TSHRLMNAHSD17B10HTTMAPK1
SCHEMBL2906948 0.79 ACP1 (0.53) ACP1SLC2A1CYP1A2CYP3A4CYP2D6
SCHEMBL1614383 0.79 KDM4E (0.36) ACP1RETKMT2AKDM4E
SCHEMBL2907392 0.78 MTNR1A (0.38) CYP3A4CYP2D6CYP2C9ADORA1DRD2
SCHEMBL2906929 0.77 HRH4 (0.47) ACP1SLC2A1CYP1A2CYP3A4CYP2D6

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 2068/4885RET 3827/4885

“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.