SCHEMBL6838577

SCHEMBL6838577

Fc1ccc(-c2nc3c(C(F)(F)F)nc4ccccc4c3n2CCC2CCNCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 2/20 0.37
NR4A2 P43354 1/20 0.37
KCNH2 Q12809 1/20 0.37
AVPR2 P30518 3/20 0.36
AVPR1A P37288 3/20 0.36
NPY1R P25929 1/20 0.36
ACP1 P24666 3/20 0.36
HTR4 Q13639 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PRKAA2 P54646 1/20 0.34
MERTK Q12866 1/20 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
SCHEMBL6833713 0.94 NPY1R (0.39) PDE6DAVPR2AVPR1ANPY1RACP1
SCHEMBL6840049 0.93 ALDH1A1 (0.38) PDE6DAVPR2AVPR1ANPY1RACP1
SCHEMBL6833751 0.93 ACP1 (0.38) PDE6DAVPR2AVPR1ANPY1RACP1
SCHEMBL6840122 0.92 NPY1R (0.36) PDE6DAVPR2AVPR1ANPY1RACP1
SCHEMBL6833986 0.91 AVPR2 (0.35) PDE6DAVPR2AVPR1ANPY1RACP1
SCHEMBL6840139 0.90 ACP1 (0.38) PDE6DNPY1RACP1HTR4TLR7
SCHEMBL6838389 0.89 ACP1 (0.46) PDE6DNPY1RACP1HTR4ALDH1A1
SCHEMBL6928365 0.89 AVPR2 (0.39) PDE6DNR4A2KCNH2AVPR2AVPR1A
SCHEMBL6838696 0.89 NPY1R (0.40) PDE6DAVPR2AVPR1ANPY1RACP1
SCHEMBL6929551 0.88 PDE6D (0.41) PDE6DNR4A2KCNH2AVPR2AVPR1A

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 PDE6D 2316/4885NR4A2 489/4885KCNH2 383/4885

“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.