SCHEMBL6351500

SCHEMBL6351500

Cc1nc2c(NCc3cccc(Oc4ccccc4)c3)cccn2c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.52
CYP3A4 P08684 4/20 0.52
CYP1A2 P05177 4/20 0.52
CYP2C19 P33261 3/20 0.52
CYP2D6 P10635 3/20 0.52
GRM2 Q14416 1/20 0.49
HDAC8 Q9BY41 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
JAK2 O60674 4/20 0.42
PTK2 Q05397 4/20 0.42
FFAR1 O14842 6/20 0.42
MAPT P10636 1/20 0.42
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
NPC1 O15118 1/20 0.41
GNA15 P30679 1/20 0.41
PTGER3 P43115 1/20 0.41

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
SCHEMBL2193750 0.85 CYP3A4 (0.60) CYP2C9CYP3A4CYP1A2CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL6358411 0.84 CYP3A4 (0.49) CYP2C9CYP3A4CYP1A2CYP2C19CYP2D6
SCHEMBL23409099 0.76 GRM2 (0.49) CYP2C9CYP1A2CYP2C19GRM2HDAC8
SCHEMBL6351492 0.74 CYP3A4 (0.81) CYP2C9CYP3A4CYP1A2CYP2C19CYP2D6
SCHEMBL6360654 0.74 CYP3A4 (0.50) CYP2C9CYP3A4CYP1A2CYP2C19CYP2D6
SCHEMBL6360618 0.73 CYP3A4 (0.61) CYP2C9CYP3A4CYP1A2CYP2C19CYP2D6
Bromide SCHEMBL11794209 0.73 GRM2 (0.51) GRM2HDAC8KDM4EALDH1A1HTT
SCHEMBL10532145 0.73 ATP4A (0.61) CYP2C9CYP3A4CYP1A2CYP2C19CYP2D6
SCHEMBL6350755 0.73 CYP3A4 (0.67) CYP2C9CYP3A4CYP1A2CYP2C19CYP2D6
SCHEMBL6417257 0.72 CYP3A4 (0.66) CYP2C9CYP3A4CYP1A2CYP2C19CYP2D6

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 CYP2C9 3074/4885CYP3A4 2404/4885CYP1A2 1919/4885
US-20050154007-A1 New compounds SLC10A2, GIPR, FABP6 CYP2C9 3139/4885CYP3A4 2475/4885CYP1A2 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.