SCHEMBL6255137

SCHEMBL6255137

CS(=O)(=O)c1ccc(-c2cc(-c3cnc[nH]3)c(C#N)c(N)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
GLA P06280 3/20 0.46
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ADORA1 P30542 5/20 0.45
ADORA2A P29274 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PIM1 P11309 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HSP90AA1 P07900 2/20 0.43
HSP90AB1 P08238 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 1/20 0.43
KDR P35968 1/20 0.43
IL4 P05112 1/20 0.42

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
SCHEMBL6252444 0.84 ADORA1 (0.63) KDM4EGLAGAANPSR1RXFP1
SCHEMBL6253684 0.83 ADORA1 (0.62) KDM4EGLAGAANPSR1RXFP1
SCHEMBL6251698 0.83 KDM4E (0.67) KDM4EGLAGAANPSR1RXFP1
SCHEMBL6250912 0.82 KDM4E (0.67) KDM4EGLAGAANPSR1RXFP1
SCHEMBL6250836 0.82 IKBKB (0.55) KDM4EGLAGAANPSR1RXFP1
SCHEMBL6251123 0.79 NPSR1 (0.47) KDM4EGLAGAANPSR1RXFP1
Trifluoroacetic Acid SCHEMBL6251540 0.78 ADORA1 (0.56) KDM4EGLAGAANPSR1RXFP1
SCHEMBL6257122 0.77 ADORA1 (0.54) KDM4EGLAGAANPSR1RXFP1
SCHEMBL6250856 0.76 IDO1 (0.56) KDM4EGLAGAANPSR1RXFP1
SCHEMBL6251537 0.76 MEN1 (0.47) KDM4EGLAGAANPSR1RXFP1

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 KDM4E 1736/4885GLA 4152/4885GAA 2654/4885
US-20040142978-A1 Aminocyanopyridine inhibitors of mitogen activated protein kinase-activated protein kinase-2 MAP4K2, MAP3K20, MAPKAPK2 KDM4E 1684/4885GLA 4390/4885GAA 2704/4885

“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.