SCHEMBL6770170

SCHEMBL6770170

COc1ccc(-c2cc(C#N)c(N)nc2-c2ccco2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.66
ADORA1 P30542 5/20 0.66
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 5/20 0.51
GLA P06280 4/20 0.51
GAA P10253 4/20 0.51
MAPT P10636 4/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
PIK3R1 P27986 1/20 0.47
PIK3CA P42336 1/20 0.47
GFER P55789 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
SCHEMBL6765817 0.90 ADORA2A (0.53) ADORA2AADORA1MEN1KMT2AKDM4E
SCHEMBL6765624 0.87 ADORA1 (0.64) ADORA2AADORA1MEN1KMT2AKDM4E
SCHEMBL6771685 0.86 HPGD (0.52) ADORA2AADORA1MEN1KMT2AKDM4E
SCHEMBL6775171 0.83 ADORA2A (0.48) ADORA2AADORA1MEN1KMT2AKDM4E
SCHEMBL6768405 0.82 BRD4 (0.46) ADORA2AADORA1MEN1KMT2AKDM4E
SCHEMBL6768707 0.82 ADORA2A (0.50) ADORA2AADORA1MEN1KMT2AKDM4E
SCHEMBL3834584 0.82 ADORA2A (0.48) ADORA2AADORA1MEN1KMT2AKDM4E
SCHEMBL6766048 0.82 ADORA2A (0.57) ADORA2AADORA1MEN1KMT2AKDM4E
SCHEMBL6768976 0.81 ADORA2A (0.60) ADORA2AADORA1MEN1KMT2AKDM4E
SCHEMBL6769182 0.81 ADORA2A (0.64) ADORA2AADORA1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6750232-B2 ADENOSINE ANTAGONIST; AN IMPORTANT REGULATORY FACTOR INVOLVED IN VARIOUS INTRACELLULAR METABOLISMS SUCH AS REGULATION OF ENERGY LEVELS EISAI CO., LTD. (JP) 2004-06-15 US disclosed
US-20040006082-A1 2-Aminopyridine compounds and use thereof as drugs EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-01-08 US disclosed
EP-1308441-A1 2-AMINOPYRIDINE COMPOUNDS AND USE THEREOF AS DRUGS Eisai Co., Ltd. (JP) 2003-05-07 EP 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 (1 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-20040006082-A1 2-Aminopyridine compounds and use thereof as drugs ADORA1, ADORA2B, ADORA2A ADORA2A 3/4885ADORA1 1/4885MEN1 3490/4885

“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.