SCHEMBL3225015

SCHEMBL3225015

CCc1nc2c(Cc3ccccc3)cc(C)nc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.41
ADORA2A P29274 2/20 0.41
MPO P05164 1/20 0.38
TPO P07202 1/20 0.38
CYP3A4 P08684 1/20 0.38
EPX P11678 1/20 0.38
RECQL P46063 1/20 0.38
GAA P10253 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DDAH1 O94760 1/20 0.36
TNKS2 Q9H2K2 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
SCHEMBL3218809 0.78 POLB (0.41) GAASMN1; SMN2TP53L3MBTL1DDAH1
SCHEMBL8804333 0.77 ADORA1 (0.49) ADORA1ADORA2AGAASMN1; SMN2TP53
SCHEMBL1918476 0.74 ADORA1 (0.54) ADORA1ADORA2AGAASMN1; SMN2TP53
SCHEMBL4368747 0.71 HTT (0.45) ADORA1ADORA2AGAASMN1; SMN2L3MBTL1
SCHEMBL3217296 0.70 ADORA1 (0.48) ADORA1ADORA2ARECQL
SCHEMBL8805263 0.69 SMN1; SMN2 (0.56) ADORA1ADORA2ACYP3A4GAASMN1; SMN2
SCHEMBL8590742 0.68 GAA (0.45) GAASMN1; SMN2TP53L3MBTL1DDAH1
SCHEMBL12877777 0.68 GAA (0.47) GAATP53L3MBTL1DDAH1TNKS2
SCHEMBL4367112 0.68 ADORA1 (0.41) ADORA1ADORA2A
SCHEMBL21419240 0.68 PNP (0.68)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029710-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARy ACTIVATING ACTIVITIES PFIZER PRODUCTS INC. (US) 2010-02-04 US disclosed
EP-2125806-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARY ACTIVATING ACTIVITIES Pfizer Products Inc. (US) 2009-12-02 EP disclosed
WO-2008084303-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARY ACTIVATING ACTIVITIES PFIZER PRODUCTS INC. (US) 2008-07-17 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 (1 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-20100029710-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARy ACTIVATING ACTIVITIES AGTR2, AGTR1, AGT ADORA1 1622/4885ADORA2A 699/4885MPO 2121/4885

“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.