SCHEMBL6840083

SCHEMBL6840083

CN(C)CCn1c(-c2ccccc2)nc2c(C(F)(F)F)nc3ccccc3c21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.43
KDM4E B2RXH2 11/20 0.43
HPGD P15428 11/20 0.43
HSD17B10 Q99714 11/20 0.43
CYP3A4 P08684 7/20 0.43
ALOX15 P16050 6/20 0.43
TSHR P16473 6/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 2/20 0.42
TOP2A P11388 1/20 0.42
TLR7 Q9NYK1 3/20 0.39
CASR P41180 2/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL6840149 0.85 TOP2A (0.38) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL6838145 0.85 MTNR1A (0.39) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL6837676 0.85 EGFR (0.42) ALDH1A1TSHRKMT2ATLR7CASR
Fumaric Acid SCHEMBL6838681 0.81 MTNR1A (0.37) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
Fumaric Acid SCHEMBL6838685 0.81 MTNR1A (0.37) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL6838095 0.80 MTNR1A (0.50) ALDH1A1KDM4ECYP3A4TSHRMEN1
SCHEMBL6833799 0.80 TLR7 (0.46) ALDH1A1TSHRTLR7CASRSMN1; SMN2
SCHEMBL6838642 0.78 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL6838401 0.78 MTNR1A (0.40) ALDH1A1CYP3A4TLR7CASRSMN1; SMN2
SCHEMBL6833713 0.78 NPY1R (0.39) TLR7CASR

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 ALDH1A1 504/4885KDM4E 2253/4885HPGD 394/4885

“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.