SCHEMBL6351859

SCHEMBL6351859

Cc1cccc(C)c1CNc1cccn2c(C)c(CC(N)=O)nc12

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 17/20 0.57
CYP2C9 P11712 16/20 0.57
CYP2D6 P10635 9/20 0.57
CYP1A2 P05177 7/20 0.57
CYP2C19 P33261 7/20 0.57
CD38 P28907 2/20 0.44
KCNH2 Q12809 1/20 0.44
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40

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
SCHEMBL7016930 0.88 CYP3A4 (0.56) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL6354270 0.84 CYP3A4 (0.60) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL7009388 0.83 CYP3A4 (0.56) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL6354849 0.83 CYP3A4 (0.61) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL7006012 0.82 CYP3A4 (0.55) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL7007982 0.81 CYP3A4 (0.56) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL6354972 0.80 CYP3A4 (0.58) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL6356155 0.80 CYP3A4 (0.58) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL7014197 0.80 CYP3A4 (0.53) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL7015039 0.80 CYP3A4 (0.53) 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 5 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

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.