SCHEMBL6351785

SCHEMBL6351785

Cc1nc2c(CCl)cccn2c1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.49
CYP2C9 P11712 4/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
ATP4A P20648 5/20 0.48
ATP4B P51164 5/20 0.48
SMN1; SMN2 Q16637 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35

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
SCHEMBL9753950 0.79 ALDH1A1 (0.39) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL10921468 0.77 ATP4A (0.51) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL13176306 0.76 CYP1A2 (0.58) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL8608835 0.74 SMN1; SMN2 (0.48) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL6358896 0.74 CYP3A4 (0.60) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL18800987 0.74 CYP3A4 (0.48) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL10751414 0.74 CYP1A2 (0.47) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL10921260 0.74 ATP4A (0.53) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL6355106 0.73 CYP3A4 (0.59) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL5220990 0.73 ATP4A (0.51) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19

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 3074/4885CYP1A2 1919/4885
US-20050154007-A1 New compounds SLC10A2, GIPR, FABP6 CYP3A4 2475/4885CYP2C9 3139/4885CYP1A2 2011/4885

“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.