SCHEMBL12764489

SCHEMBL12764489

CC(C)Cn1ncnc1N

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.36
▸ ADORA2B P29275 2/20 0.36
▸ ADORA1 P30542 2/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ PIK3CD O00329 1/20 0.34
▸ GRM2 Q14416 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL11313699 0.72 — —
SCHEMBL12881774 0.71 ALDH1A1 (0.31) ALDH1A1
SCHEMBL12867078 0.69 ACHE (0.30) —
SCHEMBL5398742 0.67 TSHR (0.37) GRM2
SCHEMBL691749 0.67 TSHR (0.53) POLB
SCHEMBL31708457 0.67 ADRA1A (0.33) PIK3CA
SCHEMBL22633135 0.67 KDM4E (0.48) PIK3CDGRM2ALDH1A1POLB
SCHEMBL12411196 0.66 GAA (0.37) PIK3CAALDH1A1
SCHEMBL6154539 0.65 HTR2A (0.34) GRM2
SCHEMBL12764087 0.65 CYP1A2 (0.48) GRM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 — — US disclosed
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 — — US disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 — — US disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 — — 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 (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-20080045516-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E ADORA2A 3859/4885ADORA2B 2608/4885ADORA1 3359/4885

“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.

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