SCHEMBL4046231

SCHEMBL4046231

FC(F)(F)c1ccc(-c2c[c]n[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.44
NISCH Q9Y2I1 1/20 0.42
SCN2A Q99250 2/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
NOTUM Q6P988 1/20 0.40
GFER P55789 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
NPY5R Q15761 1/20 0.38
BACE1 P56817 1/20 0.36
TNIK Q9UKE5 1/20 0.35

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
SCHEMBL4050919 0.80 SCN2A (0.51) SCN2AGSK3BNOTUMKDM4ENPC1
SCHEMBL1897590 0.79 POLB (0.42) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL5092536 0.76 PDPK1 (0.48) NISCHNOTUMNPY5R
SCHEMBL1899116 0.75 POLB (0.48) SCN2ACCNB2CDK1CCNB1CCNB3
SCHEMBL71449 0.75 ESR1 (0.40) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL69802 0.74 SCN4A (0.45) SCN2ACCNB2CDK1CCNB1GSK3A
SCHEMBL7462854 0.70 SCN4A (0.53) NISCHSCN2ACCNB2CDK1CCNB1
SCHEMBL5569809 0.69 PDPK1 (0.61) KIF11NISCHCCNB2CDK1CCNB1
SCHEMBL26134841 0.69 KIF11 (0.52) KIF11NISCHSCN2ACCNB2CDK1
SCHEMBL5020247 0.68 SCN2A (0.46) KIF11NISCHSCN2ACCNB2CDK1

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 KIF11 3138/4885NISCH 1902/4885SCN2A 3786/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R KIF11 3136/4885NISCH 1980/4885SCN2A 3760/4885

“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.