SCHEMBL5559185

SCHEMBL5559185

CCC(C)NC(=O)c1cn2c(C)c(C)nc2c(O)c1CCC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 2/20 0.39
TP53 P04637 3/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 3/20 0.35
HTT P42858 1/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RCE1 Q9Y256 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ADRA1A P35348 1/20 0.34
POLB P06746 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
SCHEMBL5327618 0.86 GLA (0.38) KMT2AALDH1A1RAB9AMEN1MAPT
SCHEMBL5328503 0.82 ADRA1D (0.40) KMT2ARAB9ATP53ADRA1A
SCHEMBL5330704 0.82 SMN1; SMN2 (0.43) KMT2AALDH1A1RAB9AMEN1TP53
SCHEMBL4994479 0.81 KMT2A (0.36) KMT2AALDH1A1RAB9AMEN1HPGD
Bicarbonate SCHEMBL4976269 0.80 KMT2A (0.35) KMT2AALDH1A1RAB9AMEN1HPGD
SCHEMBL5558771 0.79 ALDH1A1 (0.39) KMT2AALDH1A1MEN1TP53MAPT
Formic Acid SCHEMBL4976263 0.77 HSD11B1 (0.34) KMT2AALDH1A1RAB9AMEN1TP53
SCHEMBL5563746 0.74 MEN1 (0.38) KMT2AALDH1A1MEN1TP53MAPT
SCHEMBL5569980 0.71 LMNA (0.38) KMT2AALDH1A1RAB9AMEN1TP53
SCHEMBL4977670 0.70 P2RX3 (0.36) ALDH1A1RAB9ATP53MAPTLMNA

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 KMT2A 1905/4885ALDH1A1 1670/4885RAB9A 66/4885

“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.