SCHEMBL6179075

SCHEMBL6179075

Cc1ccc(-n2ccc(C(F)(F)F)n2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.44
NPC1 O15118 3/20 0.41
MAPT P10636 2/20 0.41
IDH1 O75874 5/20 0.37
IDH2 P48735 1/20 0.37
PDE10A Q9Y233 1/20 0.36
RAB9A P51151 2/20 0.36
SCN9A Q15858 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
PTGS2 P35354 2/20 0.35
HTT P42858 1/20 0.35
PAX8 Q06710 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34

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
SCHEMBL29402753 1.00 PRMT6 (0.44) PRMT6NPC1MAPTIDH1IDH2
SCHEMBL30492741 0.81 PRMT6 (0.44) PRMT6NPC1MAPTIDH1IDH2
SCHEMBL20006650 0.80 MAPT (0.42) PRMT6NPC1MAPTIDH1IDH2
SCHEMBL20392745 0.80 IDH1 (0.40) PRMT6NPC1MAPTIDH1IDH2
SCHEMBL10162249 0.80 IDH1 (0.40) PRMT6NPC1MAPTIDH1IDH2
SCHEMBL6035500 0.78 KDM4E (0.42) MAPTHTTMEN1CYP1A2CYP2C9
SCHEMBL10147813 0.78 RAB9A (0.53) NPC1MAPTRAB9AHTTCCR1
SCHEMBL16180341 0.77 KCNJ1 (0.49) PRMT6NPC1MAPTIDH1IDH2
SCHEMBL10130925 0.77 IDH1 (0.38) PRMT6NPC1MAPTIDH1IDH2
SCHEMBL28179040 0.77 IDH1 (0.41) PRMT6IDH1IDH2SCN9A

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-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 US disclosed
EP-1427725-B1 PYRAZOLYL-SUBSTITUTED THIENYLOXYPYRIDINES BASF AG (DE) 2005-03-23 EP disclosed
US-20040235667-A1 Pyrazolyl-substituted thienyloxypyridines BASF AKTIENGESELLSCHAFT (DE) 2004-11-25 US disclosed
EP-1427725-A1 PYRAZOLYL-SUBSTITUTED THIENYLOXYPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2004-06-16 EP disclosed
WO-2003022843-A1 PYRAZOLYL-SUBSTITUTED THIENYLOXYPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2003-03-20 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 (2 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-20040235667-A1 Pyrazolyl-substituted thienyloxypyridines HDHD5, CBR3, KCNH3 PRMT6 449/4885NPC1 3085/4885MAPT 4682/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 PRMT6 2760/4885NPC1 387/4885MAPT 3192/4885

“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.