SCHEMBL5563746

SCHEMBL5563746

CCC(C)NC(=O)c1cn2c(C)c(C)nc2c(O)c1C(O)CC.c1cc2cc-2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 5/20 0.37
HPGD P15428 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RXFP1 Q9HBX9 2/20 0.36
RCE1 Q9Y256 1/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CGAS Q8N884 1/20 0.33

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
SCHEMBL5558771 0.75 ALDH1A1 (0.39) MEN1KMT2AMAPTTP53HPGD
SCHEMBL5559185 0.74 KMT2A (0.42) MEN1KMT2AMAPTTP53HPGD
SCHEMBL5559597 0.71 MAPK1 (0.40) MEN1KMT2ATP53HPGDKDM4E
SCHEMBL5563725 0.65 HPGD (0.50) HPGDKDM4EALDH1A1LMNACYP3A4
SCHEMBL6028521 0.65 FAAH (0.37) MAPTTP53HPGDKDM4ECYP1A2
SCHEMBL4977670 0.63 P2RX3 (0.36) MAPTTP53HPGDKDM4EALDH1A1
SCHEMBL5569980 0.63 LMNA (0.38) MEN1KMT2AMAPTTP53HPGD
SCHEMBL5569978 0.63 LMNA (0.38) MEN1KMT2AMAPTTP53HPGD
SCHEMBL24571681 0.61 MEN1 (0.54) MEN1KMT2AMAPTHPGDKDM4E
SCHEMBL11823698 0.61 MEN1 (0.83) MEN1KMT2AMAPTHPGDKDM4E

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 MEN1 1807/4885KMT2A 1905/4885MAPT 4539/4885

“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.