SCHEMBL6352105

SCHEMBL6352105

Cc1cc(N)c2nc(C)c(C)n2c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 15/20 0.33
CYP2C9 P11712 14/20 0.33
CYP2D6 P10635 6/20 0.33
CYP2C19 P33261 5/20 0.33
CYP1A2 P05177 4/20 0.33
MAP3K14 Q99558 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ATP4A P20648 2/20 0.31
ATP4B P51164 2/20 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
SCHEMBL7498143 0.81 CYP3A4 (0.34) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL4575125 0.81 APP (0.34) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL7500755 0.81 PIK3CD (0.35) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL6634450 0.79 ALDH1A1 (0.35) CYP3A4CYP2C9KDM4EALDH1A1LMNA
SCHEMBL25104683 0.77 ATP4A (0.34) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL6849960 0.76 CYP11B1 (0.32) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL4163641 0.76 CYP3A4 (0.49) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
Bromide SCHEMBL7554050 0.75 CYP3A4 (0.48) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL10396958 0.74 ATP4A (0.30) MAP3K14ATP4AATP4B
SCHEMBL19791927 0.73 ATP4A (0.38) ATP4AATP4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050154007-A1 New compounds AMIN KOSRAT (SE) 2005-07-14 US disclosed
US-6790960-B2 Compounds ASTRAZENECA AB (SE) 2004-09-14 US disclosed
EP-1411056-A2 Imidazo[1,2-a]pyridine compounds that inhibit gastric acid secretion, pharmaceutical compositions thereof, and processes for their preparation AstraZeneca AB (SE) 2004-04-21 EP disclosed
US-20030220364-A1 New compounds AMIN KOSRAT (SE) 2003-11-27 US disclosed
US-6579884-B1 Compounds ASTRAZENECA AB (SE) 2003-06-17 US disclosed
EP-0971920-B1 COMPOUNDS FOR INHIBITION OF GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 2002-06-05 EP disclosed
US-6265415-B1 ANTIULCER AGENT ASTRAZENECA AB (SE) 2001-07-24 US disclosed
EP-0971920-A1 COMPOUNDS FOR INHIBITION OF GASTRIC ACID SECRETION Astra Aktiebolag (SE) 2000-01-19 EP disclosed
WO-1998037080-A1 COMPOUNDS FOR INHIBITION OF GASTRIC ACID SECRETION ASTRA AKTIEBOLAG (SE) 1998-08-27 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 (2 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-20030220364-A1 New compounds SLC10A2, GIPR, FABP2 CYP3A4 2404/4885CYP2C9 3074/4885CYP2D6 2708/4885
US-20050154007-A1 New compounds SLC10A2, GIPR, FABP6 CYP3A4 2475/4885CYP2C9 3139/4885CYP2D6 2771/4885

“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.