SCHEMBL6253977

SCHEMBL6253977

N#Cc1c(N)nc2c(c1-c1cccc(F)c1F)CCc1[nH]ncc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
HPGD P15428 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ATM Q13315 2/20 0.45
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 7/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPK1 P28482 4/20 0.40
GAA P10253 3/20 0.40
GLA P06280 2/20 0.40
S1PR4 O95977 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DYRK1A Q13627 3/20 0.39
EGFR P00533 2/20 0.39
CUL4A Q13619 1/20 0.38
BCAT1 P54687 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL6252369 0.92 LMNA (0.40) LMNAHPGDL3MBTL1MAPTMEN1
SCHEMBL6252654 0.91 LMNA (0.43) LMNAHPGDL3MBTL1MAPTMEN1
SCHEMBL6251688 0.84 KDM4E (0.51) LMNAHPGDL3MBTL1MAPTMEN1
SCHEMBL6252682 0.84 EGFR (0.43) LMNAHPGDL3MBTL1MAPTMEN1
SCHEMBL6253698 0.84 LMNA (0.43) LMNAHPGDL3MBTL1MAPTMEN1
SCHEMBL6256121 0.83 HPGD (0.52) LMNAHPGDL3MBTL1MAPTMEN1
Trifluoroacetic Acid SCHEMBL6252660 0.83 CCNA2 (0.38) LMNAHPGDL3MBTL1MAPTMEN1
SCHEMBL6252427 0.82 LMNA (0.44) LMNAHPGDL3MBTL1MAPTMEN1
SCHEMBL6251122 0.81 HPGD (0.54) LMNAHPGDL3MBTL1MAPTMEN1
SCHEMBL6252174 0.81 ALDH1A1 (0.50) LMNAHPGDL3MBTL1MAPTMEN1

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 LMNA 3996/4885HPGD 1207/4885L3MBTL1 4860/4885
US-20040142978-A1 Aminocyanopyridine inhibitors of mitogen activated protein kinase-activated protein kinase-2 MAP4K2, MAP3K20, MAPKAPK2 LMNA 2851/4885HPGD 806/4885L3MBTL1 4809/4885

“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.