SCHEMBL3071940

SCHEMBL3071940

FC(F)(F)c1cccc2c[c][nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
HRH4 Q9H3N8 2/20 0.35
AXL P30530 1/20 0.34
CES1 P23141 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33

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
SCHEMBL442426 0.72 CA12 (0.44) HRH4CES1
SCHEMBL16456504 0.72 KDM4E (0.41) KDM4EPOLB
SCHEMBL593971 0.69 KDM4E (0.58) KIF11SMN1; SMN2KDM4EHSD17B10MEN1
SCHEMBL9740425 0.68 CYP1A2 (0.39) SMN1; SMN2KDM4EHSD17B10MEN1KMT2A
SCHEMBL4455876 0.68 AHR (0.48) MEN1KMT2APOLBLMNAGAA
SCHEMBL4465569 0.68 CYP2A6 (0.39) KIF11ALDH1A1POLBGAAMAPT
SCHEMBL9739424 0.68 AXL (0.50) KIF11SMN1; SMN2KDM4EHSD17B10MEN1
SCHEMBL4477406 0.67 NOS1 (0.53) SMN1; SMN2KDM4EHSD17B10MEN1KMT2A
SCHEMBL31083618 0.66 KIF11 (0.74) KIF11SMN1; SMN2KDM4EHSD17B10MEN1
SCHEMBL3814961 0.65 KIF11 (0.40) KIF11SMN1; SMN2KDM4EHSD17B10MEN1

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-1620391-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2014-01-15 EP disclosed
US-20100317650-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS INOS INHIBITORS NYCOMED GMBH (DE) 2010-12-16 US disclosed
US-7790710-B2 Imidazopyridine derivatives useful as iNOS inhibitors NYCOMED GMBH (DE) 2010-09-07 US disclosed
EP-1866306-B1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS INOS INHIBITORS NYCOMED GMBH (DE) 2009-06-17 EP disclosed
US-20090131399-A1 Imidazopyridine Derivatives Useful as iNOS Inhibitors NYCOMED GMBH (DE) 2009-05-21 US disclosed
EP-1673371-B1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS NYCOMED GMBH (DE) 2008-08-06 EP disclosed
US-20080125460-A1 Imidazopyridine-Derivatives As Inducible No-Synthase Inhibitors ALTANA PHARMA AG (DE) 2008-05-29 US disclosed
EP-1866306-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS INOS INHIBITORS Nycomed GmbH (DE) 2007-12-19 EP disclosed
WO-2006103255-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS INOS INHIBITORS NYCOMED GMBH (DE) 2006-10-05 WO disclosed
EP-1673371-A1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS ALTANA Pharma AG (DE) 2006-06-28 EP disclosed
WO-2005030769-A1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2005-04-07 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 (3 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-20080125460-A1 Imidazopyridine-Derivatives As Inducible No-Synthase Inhibitors PTGS1, PTGIS, NOS1 KIF11 4883/4885SMN1; SMN2 4465/4885KDM4E 3033/4885
US-20100317650-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS INOS INHIBITORS NOS2, NOS1, ARG1 KIF11 4857/4885SMN1; SMN2 3333/4885KDM4E 2894/4885
US-20090131399-A1 Imidazopyridine Derivatives Useful as iNOS Inhibitors NOS2, NOS1, ARG1 KIF11 4857/4885SMN1; SMN2 3333/4885KDM4E 2894/4885

“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.