SCHEMBL4049982

SCHEMBL4049982

FC(F)(F)c1ccc(-c2c[nH][c]n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.44
NISCH Q9Y2I1 1/20 0.39
GFER P55789 1/20 0.39
RAD51 Q06609 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
NOTUM Q6P988 1/20 0.37
LTA4H P09960 1/20 0.36
MAOB P27338 2/20 0.36
KDM1A O60341 1/20 0.36
TOP1 P11387 1/20 0.36
CXCR2 P25025 1/20 0.35
TYMP P19971 1/20 0.35
EPHB4 P54760 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
SCHEMBL27584597 0.81 KIF11 (0.42) KIF11NISCHKDM4EMEN1KMT2A
SCHEMBL4045664 0.80 IDO1 (0.53) KDM4EMEN1KMT2ANOTUMMAOB
SCHEMBL6001761 0.77 NISCH (0.43) KIF11NISCHKDM4EL3MBTL1NOTUM
SCHEMBL7179987 0.76 LMNA (0.42) NISCHKDM4EKMT2ANOTUM
SCHEMBL27776210 0.75 MPL (0.49) NOTUM
SCHEMBL4047707 0.75 AKT1 (0.42) KDM4EMEN1KMT2AL3MBTL1NOTUM
SCHEMBL1202001 0.75 NOTUM (0.42) KDM4EMEN1KMT2ANOTUM
SCHEMBL1119940 0.75 METAP2 (0.42) NISCHRAD51KDM4EMEN1KMT2A
SCHEMBL27606211 0.75 METAP2 (0.42) GFERKDM4EMEN1KMT2A
SCHEMBL27584582 0.75 METAP2 (0.42) KDM4EMEN1KMT2ANPSR1LTA4H

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 1902/4885GFER 1062/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R KIF11 3136/4885NISCH 1980/4885GFER 979/4885

“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.