SCHEMBL3837243

SCHEMBL3837243

C=CCCn1cc(-c2cc(C#N)c(N)nc2-c2ccco2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.43
ADORA1 P30542 11/20 0.43
ADORA2B P29275 8/20 0.43
PIM1 P11309 1/20 0.37
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALOX12 P18054 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 4/20 0.35
MAPT P10636 3/20 0.35
HSD17B10 Q99714 3/20 0.35
GLA P06280 3/20 0.35
GAA P10253 3/20 0.35
HPGD P15428 2/20 0.35
PSMD14 O00487 1/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL3839502 0.95 ADORA2A (0.42) ADORA2AADORA1ADORA2BPIM1ALDH1A1
SCHEMBL3841680 0.91 ADORA2A (0.43) ADORA2AADORA1ADORA2BPIM1ALDH1A1
SCHEMBL3835280 0.88 ADORA2A (0.46) ADORA2AADORA1ADORA2BPIM1ALDH1A1
SCHEMBL3838327 0.88 ADORA2A (0.48) ADORA2AADORA1ADORA2BPIM1ALDH1A1
SCHEMBL3841788 0.86 ADORA2A (0.46) ADORA2AADORA1ADORA2BPIM1ALDH1A1
SCHEMBL3839413 0.86 ADORA2A (0.46) ADORA2AADORA1ADORA2BPIM1ALDH1A1
SCHEMBL3834776 0.86 ADORA1 (0.44) ADORA2AADORA1ADORA2BPIM1ALDH1A1
SCHEMBL3834032 0.86 ADORA2A (0.44) ADORA2AADORA1ADORA2BPIM1ALDH1A1
SCHEMBL3838300 0.86 ADORA2A (0.44) ADORA2AADORA1ADORA2BPIM1ALDH1A1
SCHEMBL3835103 0.86 ADORA2A (0.47) ADORA2AADORA1ADORA2BPIM1ALDH1A1

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.