SCHEMBL3199658

SCHEMBL3199658

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.40
ADORA3 P0DMS8 3/20 0.40
ADORA2A P29274 2/20 0.40
GAA P10253 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PARP4 Q9UKK3 3/20 0.34
PARP1 P09874 3/20 0.34
PARP2 Q9UGN5 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
DDAH1 O94760 1/20 0.33

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
SCHEMBL9598987 0.87 KDM4E (0.35) ADORA1ADORA3ADORA2APARP4PARP1
SCHEMBL1918476 0.82 ADORA1 (0.54) ADORA1ADORA3ADORA2AGAAHTT
SCHEMBL4362864 0.81 ADORA1 (0.41) ADORA1ADORA3ADORA2AGAAHTT
SCHEMBL3209801 0.79 HTT (0.41) ADORA1ADORA3ADORA2AGAAHTT
SCHEMBL3211435 0.76 ADORA1 (0.37) ADORA1ADORA3ADORA2AGAAHTT
SCHEMBL3220742 0.75 GABRP (0.41) ADORA1ADORA3ADORA2ATP53ALDH1A1
SCHEMBL3206001 0.74 NOS3 (0.38) ADORA1ADORA3ADORA2AGAAHTT
SCHEMBL6299898 0.74 CYP1A2 (0.43) GAASMN1; SMN2L3MBTL1ALDH1A1
Hydrogen Peroxide SCHEMBL9434810 0.73 CYP1A2 (0.42) GAASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3210413 0.73 ADORA1 (0.36) ADORA1ADORA3ADORA2AGAAHTT

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-20100029710-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARy ACTIVATING ACTIVITIES PFIZER PRODUCTS INC. (US) 2010-02-04 US disclosed
US-20100029710-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARy ACTIVATING ACTIVITIES PFIZER PRODUCTS INC. (US) 2010-02-04 US disclosed
US-20100029710-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARy ACTIVATING ACTIVITIES PFIZER PRODUCTS INC. (US) 2010-02-04 US disclosed
EP-0690859-A1 BENZYLIMIDAZOPYRIDINE DERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS PFIZER INC. (US) 1996-01-10 EP disclosed
WO-1994020499-A1 BENZYLIMIDAZOPYRIDINE DERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS PFIZER INC. (US) 1994-09-15 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 1622/4885ADORA3 1465/4885ADORA2A 699/4885

“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.