SCHEMBL3835970

SCHEMBL3835970

Cc1ccc(-n2cc(-c3cc(C#N)c(N)nc3-c3ccco3)ccc2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.46
ADORA2A P29274 10/20 0.45
ADORA1 P30542 10/20 0.45
ADORA2B P29275 8/20 0.45
KDM4E B2RXH2 6/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 4/20 0.40
GLA P06280 3/20 0.40
GAA P10253 3/20 0.40
BLM P54132 2/20 0.40
POLB P06746 2/20 0.40
RECQL P46063 2/20 0.40
APEX1 P27695 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 5/20 0.39
HPGD P15428 3/20 0.38
CASP1 P29466 2/20 0.38
TSHR P16473 2/20 0.38

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
SCHEMBL3838834 0.92 ADORA2A (0.43) PIM1ADORA2AADORA1ADORA2BKDM4E
SCHEMBL3834526 0.91 ALDH1A1 (0.47) PIM1ADORA2AADORA1ADORA2BKDM4E
SCHEMBL3835669 0.90 ADORA2A (0.49) PIM1ADORA2AADORA1ADORA2BKDM4E
SCHEMBL3838643 0.88 ADORA2A (0.41) PIM1ADORA2AADORA1ADORA2BKDM4E
SCHEMBL3838660 0.86 ADORA2A (0.44) PIM1ADORA2AADORA1ADORA2BKDM4E
SCHEMBL3840052 0.86 ADORA1 (0.44) PIM1ADORA2AADORA1ADORA2BKDM4E
SCHEMBL3835823 0.85 ADORA2A (0.41) PIM1ADORA2AADORA1ADORA2BKDM4E
SCHEMBL6775171 0.85 ADORA2A (0.48) PIM1ADORA2AADORA1ADORA2BKDM4E
SCHEMBL3834767 0.84 ADORA2A (0.62) PIM1ADORA2AADORA1ADORA2BKDM4E
SCHEMBL3839392 0.83 ADORA2A (0.43) PIM1ADORA2AADORA1ADORA2BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1308441-B1 2-AMINOPYRIDINE COMPOUNDS AND USE THEREOF AS DRUGS EISAI R&D MAN CO LTD (JP) 2009-10-07 EP disclosed
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 PIM1 3522/4885ADORA2A 3/4885ADORA1 1/4885

“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.