SCHEMBL6840082

SCHEMBL6840082

Cc1cccc2c1nc(C(F)(F)F)c1nc(-c3ncc[nH]3)n(CCN3CCNCC3)c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PARP2 Q9UGN5 2/20 0.33
PARP1 P09874 1/20 0.33
PIK3CD O00329 2/20 0.32
PIK3C2B O00750 2/20 0.32
TGFBR1 P36897 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
HTR6 P50406 1/20 0.31
MDM4 O15151 1/20 0.31
LMNA P02545 1/20 0.31
AHR P35869 1/20 0.31
MDM2 Q00987 1/20 0.31
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
TRPV4 Q9HBA0 1/20 0.30

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
SCHEMBL6838635 0.87 NPY1R (0.37) NCF1PARP2PARP1
SCHEMBL6838049 0.86 PARP1 (0.33) NCF1KDM4EALDH1A1MAPK1HSD17B10
SCHEMBL6833824 0.84 KDM4E (0.38) KDM4EALDH1A1MAPK1HSD17B10PARP1
SCHEMBL6833841 0.83 NCF1 (0.34) NCF1KDM4EALDH1A1MAPK1HSD17B10
SCHEMBL6838063 0.83 ADRB2 (0.35) NCF1KDM4EALDH1A1PIK3CDPIK3C2B
SCHEMBL6838669 0.82 SSTR4 (0.37)
SCHEMBL6840144 0.82 SLC6A2 (0.37) NCF1HTR6
SCHEMBL6833788 0.82 ADRB2 (0.35) NCF1
SCHEMBL6838013 0.81 ADORA2A (0.35) NCF1KDM4EALDH1A1MAPK1HSD17B10
SCHEMBL6838712 0.81 HTR6 (0.37) NCF1KDM4EALDH1A1MAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040054182-A1 1h-imidazopyridine derivatives HOKURIKU SEIYAKU CO., LTD. (JP) 2004-03-18 US disclosed
EP-1256582-A1 1H-IMIDAZOPYRIDINE DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2002-11-13 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 (1 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-20040054182-A1 1h-imidazopyridine derivatives IL2, IL1A, IL4 NCF1 85/4885KDM4E 2253/4885ALDH1A1 504/4885

“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.