SCHEMBL6027772

SCHEMBL6027772

CCc1cccc(C)c1Cc1c(OCCOC)nc(N)c(N)c1NC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
KCNH2 Q12809 1/20 0.34
SCN5A Q14524 1/20 0.34
PIK3CD O00329 4/20 0.34
TLR7 Q9NYK1 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TP53 P04637 1/20 0.31
DHFR P00374 1/20 0.31

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
SCHEMBL6027514 0.88 KCNH2 (0.38) KCNH2SCN5ACYP1A2CYP3A4CYP2D6
SCHEMBL6027811 0.87 HPGD (0.39) TP53
SCHEMBL6027551 0.74 MAPT (0.40) TP53
SCHEMBL4914828 0.70 CYP3A4 (0.41) KCNH2PIK3CDCYP1A2CYP3A4CYP2D6
SCHEMBL15122404 0.68 GABRA1 (0.46) KCNH2SCN5ACYP1A2CYP3A4CYP2D6
SCHEMBL8443520 0.63 PTGS2 (0.43) KCNH2SCN5ACYP3A4
SCHEMBL2868352 0.61 SCN5A (0.50) KCNH2SCN5ACYP3A4
Methylamine SCHEMBL27931104 0.61 GABRA1 (0.46) KCNH2SCN5ACYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL2868350 0.60 PTGS2 (0.49) KCNH2SCN5ACYP3A4
SCHEMBL22442946 0.60 HTR1B (0.42) TSHRCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060194782-A1 Pharmacologically active imidazo[4,5-c] pyridines ALTANA PHARMA AG (DE) 2006-08-31 US disclosed
EP-1670795-A1 PHARMACOLOGICALLY ACTIVE IMIDAZO 4,5-C PYRIDINES ALTANA Pharma AG (DE) 2006-06-21 EP disclosed
WO-2005026164-A1 PHARMACOLOGICALLY ACTIVE IMIDAZO[4,5-C]PYRIDINES ALTANA PHARMA AG (DE) 2005-03-24 WO 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-20060194782-A1 Pharmacologically active imidazo[4,5-c] pyridines GIPR, VIP, PGC TSHR 1113/4885KCNH2 270/4885SCN5A 709/4885

“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.