SCHEMBL6838690

SCHEMBL6838690

COc1cccc(-c2nc3c(C(F)(F)F)nc4cc(C)ccc4c3n2CCC2CCNCC2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.36
CYP3A4 P08684 5/20 0.36
HSD17B10 Q99714 4/20 0.36
KDM4E B2RXH2 4/20 0.36
CYP2C19 P33261 3/20 0.36
TP53 P04637 3/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.36
HIF1A Q16665 1/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
PIM3 Q86V86 2/20 0.36
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
CYP2D6 P10635 2/20 0.34

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
SCHEMBL6838517 0.92 NPY1R (0.38) CYP1A2CYP3A4HSD17B10KDM4ECYP2C19
SCHEMBL6838553 0.91 ACP1 (0.38) CYP3A4HSD17B10KDM4ETP53LMNA
SCHEMBL7489689 0.89 ACP1 (0.40) CYP1A2CYP3A4HSD17B10KDM4ETP53
SCHEMBL6833817 0.89 KHK (0.38)
SCHEMBL6833924 0.89 ADORA1 (0.33) PIM3ADORA1MDM2
SCHEMBL7493968 0.85 ACP1 (0.40) CYP1A2CYP3A4HSD17B10TP53LMNA
SCHEMBL6838648 0.85 CYP1A2 (0.36) CYP1A2CYP3A4HSD17B10KDM4ECYP2C19
SCHEMBL6840146 0.84 DHODH (0.35)
SCHEMBL6838674 0.83 ADRB2 (0.39) LMNAHIF1ASMN1; SMN2
SCHEMBL6838705 0.83 NPY1R (0.40) CYP1A2CYP3A4CYP2C19TP53TSHR

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 CYP1A2 1226/4885CYP3A4 764/4885HSD17B10 2877/4885

“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.