SCHEMBL4050332

SCHEMBL4050332

FC(F)(F)c1ccc(-c2n[c]n[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
KIF11 P52732 6/20 0.44
SCN2A Q99250 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
COMT P21964 1/20 0.41
NOTUM Q6P988 1/20 0.40
TNKS O95271 2/20 0.39
WNT3A P56704 2/20 0.39
TNKS2 Q9H2K2 2/20 0.39
NISCH Q9Y2I1 1/20 0.39
PARP1 P09874 1/20 0.37
MAPK13 O15264 1/20 0.37
RAF1 P04049 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37

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
SCHEMBL29204531 0.81 HDAC6 (0.42) KDM4ENPC1POLBRAB9AKIF11
SCHEMBL4050203 0.80 SCN2A (0.51) KDM4ENPC1RAB9ASCN2ANOTUM
SCHEMBL4046187 0.79 NPC1 (0.38) KDM4ENPC1POLBRAB9AATM
SCHEMBL11463047 0.76 LMNA (0.42) KDM4ENOTUMMAPK13RAF1MAPK12
SCHEMBL16238185 0.75 NOTUM (0.33) TRPV1NOTUMNISCH
SCHEMBL11467256 0.75 ALPL (0.44) KDM4ENPC1POLBRAB9ASCN2A
SCHEMBL4051736 0.75 NR1H2 (0.39) KDM4ENPC1POLBRAB9ASCN2A
SCHEMBL1119442 0.70 GFER (0.46) GFERKDM4ENPC1POLBRAB9A
SCHEMBL1435664 0.69 GFER (0.45) GFERKDM4ENPC1POLBRAB9A
SCHEMBL31659766 0.68 NPBWR1 (0.64) GFERKDM4ENPC1POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589096-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-15 US disclosed
EP-1566384-B1 NOVEL AZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2009-06-17 EP disclosed
US-20080188507-A1 Novel azole derivatives MSD K.K. (JP) 2008-08-07 US disclosed
US-7365079-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-29 US disclosed
US-20060111380-A1 Novel azole derivatives MSD K.K. (JP) 2006-05-25 US disclosed
EP-1566384-A1 NOVEL AZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-24 EP 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-20080188507-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R GFER 1062/4885KDM4E 2034/4885NPC1 4195/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R GFER 979/4885KDM4E 2049/4885NPC1 4203/4885

“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.