SCHEMBL2901754

SCHEMBL2901754

Cc1ccc(CNc2ccc3c(NCc4ccc(F)cc4)cccc3n2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
USP1 O94782 1/20 0.42
WDR48 Q8TAF3 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TRPC5 Q9UL62 1/20 0.40
GPR35 Q9HC97 1/20 0.40
TSHR P16473 1/20 0.40
NTRK1 P04629 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
APP P05067 1/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
ABCB11 O95342 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
SCHEMBL2907784 0.91 NTRK1 (0.41) MEN1KMT2AUSP1WDR48NPC1
SCHEMBL2901522 0.87 RAB9A (0.41) MEN1KMT2ANPC1RAB9ATSHR
SCHEMBL2906926 0.86 MEN1 (0.40) MEN1KMT2ANPC1RAB9ATRPC5
SCHEMBL2908910 0.85 NPC1 (0.41) MEN1KMT2ANPC1RAB9ATRPC5
SCHEMBL2903146 0.83 POLB (0.46) MEN1KMT2ANPC1RAB9ATSHR
SCHEMBL2909105 0.83 LMNA (0.42) MEN1KMT2ANPC1RAB9ATRPC5
SCHEMBL2906805 0.83 NPC1 (0.46) MEN1KMT2ANPC1RAB9ATRPC5
SCHEMBL2908205 0.83 NPC1 (0.41) MEN1KMT2ANPC1RAB9ATRPC5
SCHEMBL2901726 0.83 MAPT (0.46) MEN1KMT2ATSHRKDM4EALDH1A1
SCHEMBL2904364 0.83 NPC1 (0.42) NPC1RAB9ATRPC5TSHRKDM4E

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 MEN1 645/4885KMT2A 335/4885USP1 3445/4885

“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.