SCHEMBL5558771

SCHEMBL5558771

CCC(C)NC(=O)c1cn2c(C)c(C)nc2c(O)c1CN(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ADRA1A P35348 1/20 0.34
TP53 P04637 4/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
POLR1A O95602 1/20 0.33
RCE1 Q9Y256 1/20 0.33
HTT P42858 1/20 0.33
JAK2 O60674 2/20 0.32
JAK3 P52333 2/20 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
SCHEMBL5326603 0.79 CHEK1 (0.36) CYP1A2CYP2C19JAK2JAK3CHEK1
SCHEMBL5559185 0.79 KMT2A (0.42) ALDH1A1TSHRKDM4ECYP1A2HPGD
SCHEMBL5563484 0.79 KMT2A (0.39) ALDH1A1TSHRKDM4EHPGDHSD17B10
Iodide SCHEMBL4975557 0.78 CHEK1 (0.35) CYP1A2CYP2C19JAK2JAK3CHEK1
Iodide SCHEMBL5323160 0.78 KMT2A (0.38) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL5563746 0.75 MEN1 (0.38) ALDH1A1TSHRKDM4ECYP1A2HPGD
SCHEMBL5559597 0.73 MAPK1 (0.40) ALDH1A1TSHRKDM4ECYP1A2HPGD
SCHEMBL5566386 0.66 KDM4E (0.44) ALDH1A1TSHRKDM4ECYP1A2CYP2C19
SCHEMBL5569980 0.64 LMNA (0.38) ALDH1A1KDM4ECYP1A2HPGDCYP2C19
SCHEMBL5563725 0.63 HPGD (0.50) ALDH1A1KDM4EHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223771-B2 Tricyclic imidazopyridines ALTANA PHARMA AG (DE) 2007-05-29 US disclosed
EP-1419163-B9 TRICYCLIC IMIDAZOPYRIDINES ALTANA PHARMA AG (DE) 2005-11-09 EP disclosed
EP-1419163-B1 TRICYCLIC IMIDAZOPYRIDINES ALTANA PHARMA AG (DE) 2005-06-15 EP disclosed
US-20050049272-A1 Gastrointestinal disorders; inhibiting gastric acid secretion; such as 2,3-dimethyl-9-(2-ethyl-6-methyl-phenyl)-7H-8,9-dihydro-pyrano[2,3-c]-imidazo[1,2-a]pyridine-6-(N,N-diethyl)carbamide ALTANA PHARMA AG (DE) 2005-03-03 US disclosed
EP-1419163-A1 TRICYCLIC IMIDAZOPYRIDINES ALTANA Pharma AG (DE) 2004-05-19 EP disclosed
WO-2003014123-A1 TRICYCLIC IMIDAZOPYRIDINES ALTANA PHARMA AG (DE) 2003-02-20 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-20050049272-A1 Gastrointestinal disorders; inhibiting gastric acid secretion; such as 2,3-dimethyl-9-(2-ethyl-6-methyl-phenyl)-7H-8,9-dihydro-pyrano[2,3-c]-imidazo[1,2-a]pyridine-6-(N,N-diethyl)carbamide GIPR, GRPR, PGC ALDH1A1 1670/4885TSHR 660/4885KDM4E 625/4885

“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.