SCHEMBL2906786

SCHEMBL2906786

Cc1ccc(CNc2ccc3c(Sc4ccc(F)cc4)cccc3n2)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.37
DHFR P00374 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 2/20 0.35
NPY5R Q15761 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
TP53 P04637 2/20 0.34
TRPC5 Q9UL62 1/20 0.33
MAPK1 P28482 2/20 0.33
HRH4 Q9H3N8 1/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 3/20 0.32

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
SCHEMBL2909122 0.86 TP53 (0.43) MAPK14NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL2901522 0.80 RAB9A (0.41) MAPK14NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL2901754 0.80 MEN1 (0.43) MAPK14NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL2908910 0.80 NPC1 (0.41) MAPK14NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL2906926 0.79 MEN1 (0.40) MAPK14NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL2904492 0.79 NPC1 (0.44) NPC1RAB9ATSHRSMN1; SMN2HTT
SCHEMBL2902474 0.79 NPC1 (0.47) MAPK14NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL2905170 0.78 NPC1 (0.39) MAPK14NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL2905168 0.78 NPC1 (0.39) MAPK14NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL2909105 0.78 LMNA (0.42) MAPK14NPC1RAB9ATSHRSMN1; SMN2

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 5 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 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 MAPK14 4390/4885NPC1 1573/4885RAB9A 1336/4885

“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.