SCHEMBL3836787

SCHEMBL3836787

COc1ccccc1-n1cc(-c2cc(C#N)c(N)nc2-c2ccco2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.43
ADORA1 P30542 6/20 0.43
ADORA2B P29275 4/20 0.42
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 1/20 0.41
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 5/20 0.39
MAPT P10636 5/20 0.39
GAA P10253 3/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GLA P06280 2/20 0.39
PIM1 P11309 1/20 0.38
HSD17B10 Q99714 4/20 0.37
CASP1 P29466 3/20 0.37
USP2 O75604 2/20 0.37
CASP7 P55210 2/20 0.37
SMN1; SMN2 Q16637 2/20 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
SCHEMBL3838660 0.89 ADORA2A (0.44) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL3839392 0.88 ADORA2A (0.43) ADORA2AADORA1ADORA2BPIK3R1PIK3CA
SCHEMBL3835669 0.85 ADORA2A (0.49) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL3840052 0.84 ADORA1 (0.44) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL3834526 0.82 ALDH1A1 (0.47) ADORA2AADORA1ADORA2BPIK3R1PIK3CA
SCHEMBL3835970 0.82 PIM1 (0.46) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL3834767 0.81 ADORA2A (0.62) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL3838834 0.81 ADORA2A (0.43) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL6770170 0.79 ADORA2A (0.66) ADORA2AADORA1ADORA2BPIK3R1PIK3CA
SCHEMBL3835103 0.79 ADORA2A (0.47) ADORA2AADORA1ADORA2BMEN1KMT2A

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 ADORA2A 3/4885ADORA1 1/4885ADORA2B 2/4885

“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.