SCHEMBL6350950

SCHEMBL6350950

CCOC(=O)c1c(C)nc2c(NCc3c(C)cccc3C)cc(C)cn12

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
CYP3A4 P08684 17/20 0.53
CYP2C9 P11712 17/20 0.53
CYP2D6 P10635 10/20 0.53
CYP2C19 P33261 8/20 0.53
CYP1A2 P05177 7/20 0.53
MAPK1 P28482 2/20 0.46
HCRTR1 O43613 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL7494111 0.94 CYP3A4 (0.62) SMN1; SMN2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL7496113 0.91 CYP3A4 (0.55) SMN1; SMN2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL6351698 0.89 SMN1; SMN2 (0.45) SMN1; SMN2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL6360465 0.87 CYP3A4 (0.54) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL6433684 0.86 SMN1; SMN2 (0.70) SMN1; SMN2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL7013061 0.85 CYP3A4 (0.51) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL6349099 0.84 CYP3A4 (0.70) SMN1; SMN2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL6216038 0.84 CYP3A4 (0.78) SMN1; SMN2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL7494897 0.83 CYP3A4 (0.47) SMN1; SMN2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL7499841 0.80 SMN1; SMN2 (0.55) SMN1; SMN2CYP3A4CYP2C9CYP2D6CYP2C19

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 11 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-1105391-A2 NEW COMPOUNDS AstraZeneca AB (SE) 2001-06-13 EP disclosed
WO-2000011000-A2 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-03-02 WO 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 SMN1; SMN2 4309/4885CYP3A4 2404/4885CYP2C9 3074/4885
US-20050154007-A1 New compounds SLC10A2, GIPR, FABP6 SMN1; SMN2 4396/4885CYP3A4 2475/4885CYP2C9 3139/4885

“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.