SCHEMBL6251468

SCHEMBL6251468

C[Si](C)(C)CCOCn1cnc(-c2cc(-c3ccco3)nc(N)c2C#N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 14/20 0.55
ADORA2A P29274 13/20 0.55
ADORA2B P29275 8/20 0.55
ADORA3 P0DMS8 1/20 0.48
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 4/20 0.47
MEN1 O00255 4/20 0.47
GAA P10253 4/20 0.47
KMT2A Q03164 4/20 0.47
TSHR P16473 3/20 0.47
GLA P06280 3/20 0.47
MAPT P10636 3/20 0.47
HSD17B10 Q99714 3/20 0.47
POLB P06746 2/20 0.47
PSMD14 O00487 1/20 0.47
USP2 O75604 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL6252583 0.79 ADORA1 (0.69) ADORA1ADORA2AADORA2BADORA3KDM4E
SCHEMBL6252357 0.73 ADORA1 (1.00) ADORA1ADORA2AADORA2BADORA3KDM4E
Trifluoroacetic Acid SCHEMBL6250899 0.71 ADORA1 (0.56) ADORA1ADORA2AADORA2BADORA3KDM4E
SCHEMBL6255188 0.70 ADORA2A (0.69) ADORA1ADORA2AADORA2BADORA3KDM4E
SCHEMBL6254165 0.69 ADORA1 (1.00) ADORA1ADORA2AADORA2BADORA3KDM4E
SCHEMBL6252551 0.69 ADORA1 (0.70) ADORA1ADORA2AADORA2BADORA3KDM4E
SCHEMBL6252422 0.69 ALDH1A1 (0.82) ADORA1ADORA2AADORA2BADORA3KDM4E
SCHEMBL6252488 0.69 ADORA1 (0.79) ADORA1ADORA2AADORA2BADORA3KDM4E
SCHEMBL1857202 0.69 DGAT1 (0.33)
SCHEMBL6252568 0.69 HSD17B10 (0.47) ADORA1ADORA2AADORA3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569645-A2 METHOD OF USING AMINOCYANOPYRIDINE COMPOUNDS AS MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS Pharmacia Corporation (US) 2005-09-07 EP disclosed
EP-1569932-A1 AMINOCYANOPYRIDINE INHIBITORS OF MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 Pharmacia Corporation (US) 2005-09-07 EP disclosed
US-20040142978-A1 Aminocyanopyridine inhibitors of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION (US) 2004-07-22 US disclosed
WO-2004055015-A1 AMINOCYANOPYRIDINE INHIBITORS OF MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 PHARMACIA CORPORATION (US) 2004-07-01 WO disclosed
WO-2004054505-A2 METHOD OF USING AMINOCYANOPYRIDINE COMPOUNDS AS MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS PHARMACIA CORPORATION (US) 2004-07-01 WO disclosed
US-20040127519-A1 Method of using aminocyanopyridine compounds as mitogen activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION 2004-07-01 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-20040127519-A1 Method of using aminocyanopyridine compounds as mitogen activated protein kinase-activated protein kinase-2 inhibitors MAPKAPK2, MAP2K2, MAP3K2 ADORA1 3401/4885ADORA2A 1929/4885ADORA2B 2324/4885
US-20040142978-A1 Aminocyanopyridine inhibitors of mitogen activated protein kinase-activated protein kinase-2 MAP4K2, MAP3K20, MAPKAPK2 ADORA1 1798/4885ADORA2A 877/4885ADORA2B 1377/4885

“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.