SCHEMBL6354022

SCHEMBL6354022

Cc1cccc(CNc2cccn3c(C(C)O)c(C)nc23)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.52
CYP2C9 P11712 11/20 0.52
CYP2D6 P10635 7/20 0.52
CYP1A2 P05177 5/20 0.52
CYP2C19 P33261 5/20 0.52
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4C Q9H3R0 1/20 0.41
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
PAX8 Q06710 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL7495170 0.76 SMN1; SMN2 (0.66) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL6354554 0.71 CYP3A4 (0.62) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL6352406 0.71 CYP3A4 (0.62) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL6361010 0.70 CYP3A4 (0.60) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL9748624 0.69 CYP3A4 (0.53) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL6360648 0.69 CYP3A4 (0.79) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL6351492 0.69 CYP3A4 (0.81) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL7492158 0.69 CYP3A4 (0.61) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL6062184 0.68 CYP3A4 (1.00) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL6350758 0.68 CYP3A4 (0.64) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19

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 7 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-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

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.