SCHEMBL476841

SCHEMBL476841

Cc1cc(N)c2cnn(-c3ccc(F)cc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 12/20 0.47
CYP17A1 P05093 2/20 0.45
CYP1A2 P05177 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 2/20 0.43
PGR P06401 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 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
SCHEMBL304081 0.85 RAB9A (0.47) NR3C1CYP17A1CYP1A2SMN1; SMN2TSHR
SCHEMBL304064 0.82 NR3C1 (0.47) NR3C1CYP17A1CYP1A2SMN1; SMN2TSHR
SCHEMBL303716 0.82 CYP17A1 (0.45) CYP17A1CYP1A2NPC1RAB9AMAPT
SCHEMBL3972212 0.81 XDH (0.51) NR3C1SMN1; SMN2TSHRHTTMEN1
SCHEMBL4401018 0.79 NPC1 (0.56) NR3C1SMN1; SMN2TSHRHTTKMT2A
SCHEMBL303982 0.78 CYP17A1 (0.56) NR3C1CYP17A1CYP1A2PGRMEN1
SCHEMBL1255967 0.78 NOTUM (0.48) NR3C1SMN1; SMN2TSHRHTTLMNA
SCHEMBL25592503 0.77 NR3C1 (0.50) NR3C1CYP17A1CYP1A2SMN1; SMN2TSHR
SCHEMBL30375949 0.74 NR3C1 (0.60) NR3C1SMN1; SMN2TSHRHTTPGR
SCHEMBL25800348 0.74 NR3C1 (0.60) NR3C1SMN1; SMN2TSHRHTTPGR

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081910-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2012-02-01 EP disclosed
EP-2081910-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2012-02-01 EP disclosed
US-7947727-B2 Compounds GlaxoGroupLimited (GB) 2011-05-24 US disclosed
US-7947727-B2 Compounds GlaxoGroupLimited (GB) 2011-05-24 US disclosed
US-7947727-B2 Compounds GlaxoGroupLimited (GB) 2011-05-24 US disclosed
US-20100120883-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-05-13 US disclosed
US-20100120883-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-05-13 US disclosed
US-20100120883-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-05-13 US disclosed
EP-2081910-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2009-07-29 EP disclosed
WO-2008043789-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-17 WO disclosed
WO-2008043789-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-17 WO 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-20100120883-A1 NOVEL COMPOUNDS TSLP, LTB4R2, LTB4R NR3C1 267/4885CYP17A1 150/4885CYP1A2 101/4885

“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.