SCHEMBL6252154

SCHEMBL6252154

N#Cc1c(-c2ccco2)cc(-c2ccc(OC(F)(F)F)cc2)nc1N

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 15/20 0.72
KDM4E B2RXH2 4/20 0.72
MEN1 O00255 4/20 0.72
ALDH1A1 P00352 4/20 0.72
GAA P10253 4/20 0.72
KMT2A Q03164 4/20 0.72
GLA P06280 3/20 0.72
MAPT P10636 3/20 0.72
HPGD P15428 3/20 0.72
HSD17B10 Q99714 2/20 0.72
TSHR P16473 2/20 0.72
PSMD14 O00487 1/20 0.72
USP2 O75604 1/20 0.72
CASP1 P29466 1/20 0.72
CASP7 P55210 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
ADORA2A P29274 14/20 0.69
ADORA2B P29275 8/20 0.69
POLB P06746 2/20 0.60
ALOX15 P16050 1/20 0.60

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
SCHEMBL6256899 0.85 KDM4E (0.77) ADORA1KDM4EMEN1ALDH1A1GAA
SCHEMBL6255151 0.85 ADORA2A (0.83) ADORA1KDM4EMEN1ALDH1A1GAA
SCHEMBL6252675 0.84 KDM4E (1.00) ADORA1KDM4EMEN1ALDH1A1GAA
SCHEMBL6252527 0.83 ADORA2A (0.81) ADORA1KDM4EMEN1ALDH1A1GAA
SCHEMBL6250915 0.83 ADORA2A (0.81) ADORA1KDM4EMEN1ALDH1A1GAA
SCHEMBL6250225 0.82 ADORA2A (1.00) ADORA1KDM4EMEN1ALDH1A1GAA
SCHEMBL6250189 0.82 ADORA2A (0.82) ADORA1KDM4EMEN1ALDH1A1GAA
SCHEMBL6252186 0.82 ADORA1 (0.82) ADORA1KDM4EMEN1ALDH1A1GAA
SCHEMBL6253674 0.81 KDM4E (0.63) ADORA1KDM4EMEN1ALDH1A1GAA
SCHEMBL6251994 0.80 ADORA2A (0.81) ADORA1KDM4EMEN1ALDH1A1GAA

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 12 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 claimed
EP-1569932-A1 AMINOCYANOPYRIDINE INHIBITORS OF MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 Pharmacia Corporation (US) 2005-09-07 EP claimed
US-20040142978-A1 Aminocyanopyridine inhibitors of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION (US) 2004-07-22 US claimed
WO-2004055015-A1 AMINOCYANOPYRIDINE INHIBITORS OF MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 PHARMACIA CORPORATION (US) 2004-07-01 WO claimed
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 claimed
US-20040127519-A1 Method of using aminocyanopyridine compounds as mitogen activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION 2004-07-01 US claimed
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 3401/4885KDM4E 1736/4885MEN1 2597/4885
US-20040142978-A1 Aminocyanopyridine inhibitors of mitogen activated protein kinase-activated protein kinase-2 MAP4K2, MAP3K20, MAPKAPK2 ADORA1 1798/4885KDM4E 1684/4885MEN1 3282/4885

“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.