SCHEMBL6256906

SCHEMBL6256906

N#Cc1c(-c2cnc[nH]2)cc(-c2cccc(OC(=O)C(F)(F)F)c2)nc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.52
GLA P06280 6/20 0.52
ADORA1 P30542 5/20 0.51
ADORA2A P29274 5/20 0.51
NPSR1 Q6W5P4 3/20 0.49
RXFP1 Q9HBX9 2/20 0.49
GAA P10253 5/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PIM1 P11309 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
HSD17B10 Q99714 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 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
SCHEMBL6251537 0.90 MEN1 (0.47) KDM4EGLAADORA1ADORA2ANPSR1
Trifluoroacetic Acid SCHEMBL6256909 0.83 ADORA1 (0.48) KDM4EGLAADORA1ADORA2ANPSR1
Trifluoroacetic Acid SCHEMBL6251540 0.81 ADORA1 (0.56) KDM4EGLAADORA1ADORA2ANPSR1
SCHEMBL6251698 0.79 KDM4E (0.67) KDM4EGLAADORA1ADORA2ANPSR1
SCHEMBL6257122 0.78 ADORA1 (0.54) KDM4EGLAADORA1ADORA2ANPSR1
SCHEMBL6250856 0.78 IDO1 (0.56) KDM4EGLAADORA1ADORA2ANPSR1
Trifluoroacetic Acid SCHEMBL6249884 0.76 ADORA1 (0.57) KDM4EGLAADORA1ADORA2AGAA
SCHEMBL6252444 0.76 ADORA1 (0.63) KDM4EGLAADORA1ADORA2ANPSR1
SCHEMBL6250836 0.74 IKBKB (0.55) KDM4EGLAADORA1ADORA2ANPSR1
SCHEMBL6250912 0.74 KDM4E (0.67) KDM4EGLAADORA1ADORA2ANPSR1

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 KDM4E 1736/4885GLA 4152/4885ADORA1 3401/4885
US-20040142978-A1 Aminocyanopyridine inhibitors of mitogen activated protein kinase-activated protein kinase-2 MAP4K2, MAP3K20, MAPKAPK2 KDM4E 1684/4885GLA 4390/4885ADORA1 1798/4885

“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.