SCHEMBL6838003

SCHEMBL6838003

FC(F)(F)c1nc2cc(Cl)ccc2c2c1nc(C1CCCC1)n2CCN1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.37
ADORA2A P29274 1/20 0.35
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
SOS1 Q07889 2/20 0.33
KCNH2 Q12809 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ADRB2 P07550 1/20 0.32
NCF1 P14598 1/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
ARF6 P62330 1/20 0.32

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
SCHEMBL6837640 0.99 ADORA3 (0.38) ADORA3ADORA2ACYP1A2CYP2D6KMT2A
SCHEMBL6838547 0.90 SLC6A4 (0.36) ADORA3KCNH2HRH4HRH3NOS1
SCHEMBL6833699 0.89 ACHE (0.37) ADORA3KCNH2HRH4HRH3NOS1
SCHEMBL6840039 0.89 ADRB2 (0.36) ADORA3SOS1KCNH2HRH4HRH3
SCHEMBL6839979 0.89 ADRB2 (0.35) ADORA3KCNH2HRH4HRH3ADRB2
SCHEMBL6838584 0.88 ADORA3 (0.39) ADORA3ADORA2ACYP1A2CYP2D6SOS1
SCHEMBL6837685 0.88 ADORA3 (0.40) ADORA3ADORA2ACYP1A2CYP2D6SOS1
SCHEMBL6837706 0.82 ADORA3 (0.36) ADORA3SOS1
SCHEMBL6837810 0.81 ADORA3 (0.37) ADORA3SOS1ARF6
SCHEMBL6837641 0.81 EGFR (0.42) CYP1A2CYP2D6KMT2AATMADRB2

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 ADORA3 3201/4885ADORA2A 2952/4885CYP1A2 1226/4885

“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.