SCHEMBL2902277

SCHEMBL2902277

Cc1ccc(CNc2ccc3c(Nc4cccc5cc[nH]c45)cccc3n2)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPY5R Q15761 1/20 0.38
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
EGFR P00533 2/20 0.35
JAK2 O60674 1/20 0.35
LYN P07948 1/20 0.35
ZAP70 P43403 1/20 0.35
SYK P43405 1/20 0.35
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
AR P10275 1/20 0.34
ELANE P08246 1/20 0.34
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
SLC2A1 P11166 1/20 0.33

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
SCHEMBL2905030 0.87 EGFR (0.47) NPC1RAB9ANPY5RHTTSMN1; SMN2
SCHEMBL2908566 0.87 NPC1 (0.36) NPC1RAB9ANPY5RHTTSMN1; SMN2
SCHEMBL2908410 0.82 NPC1 (0.46) NPC1RAB9ANPY5RHTTSMN1; SMN2
SCHEMBL2906805 0.81 NPC1 (0.46) NPC1RAB9ANPY5RHTTSMN1; SMN2
SCHEMBL2908916 0.79 TGFBR1 (0.42) NPC1RAB9ANPY5RHTTSMN1; SMN2
SCHEMBL2908637 0.79 GSK3A (0.47) JAK2PDGFRBKDRIGF1RSRC
SCHEMBL2902338 0.78 ELANE (0.39) NPC1RAB9ANPY5RHTTSMN1; SMN2
SCHEMBL2908205 0.78 NPC1 (0.41) NPC1RAB9ANPY5RHTTSMN1; SMN2
SCHEMBL2907467 0.78 NPC1 (0.43) NPC1RAB9ANPY5RHTTSMN1; SMN2
SCHEMBL2902008 0.78 LMNA (0.45) NPC1RAB9ANPY5RHTTSMN1; 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 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 NPC1 1573/4885RAB9A 1336/4885NPY5R 337/4885

“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.