SCHEMBL6775016

SCHEMBL6775016

N#Cc1cc(-c2ccccc2F)c(-c2ccco2)nc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 3/20 0.50
PIK3CA P42336 3/20 0.50
PIK3CD O00329 1/20 0.50
PIK3CB P42338 1/20 0.50
PIK3CG P48736 1/20 0.50
ADORA2A P29274 9/20 0.45
ADORA1 P30542 8/20 0.45
ADORA2B P29275 7/20 0.45
ALDH1A1 P00352 6/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 4/20 0.45
MAPT P10636 3/20 0.45
HSD17B10 Q99714 3/20 0.45
GAA P10253 3/20 0.45
GLA P06280 2/20 0.45
TSHR P16473 2/20 0.45
CASP1 P29466 2/20 0.45
PSMD14 O00487 1/20 0.45

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
SCHEMBL6774464 0.88 PIK3R1 (0.52) PIK3R1PIK3CAADORA2AADORA1ADORA2B
SCHEMBL6775433 0.86 ADORA2A (0.56) ADORA2AADORA1ADORA2BALDH1A1MEN1
SCHEMBL6769161 0.85 ADORA2A (0.46) PIK3R1PIK3CAADORA2AADORA1ADORA2B
SCHEMBL6768530 0.85 ALDH1A1 (0.47) ADORA2AADORA1ADORA2BALDH1A1MEN1
SCHEMBL6769483 0.85 PIK3R1 (0.53) PIK3R1PIK3CAADORA2AADORA1ADORA2B
SCHEMBL6765522 0.84 ADORA2A (0.44) ADORA2AADORA1ADORA2BALDH1A1MEN1
SCHEMBL6768956 0.84 ADORA2A (0.46) ADORA2AADORA1ADORA2BALDH1A1MEN1
SCHEMBL6768976 0.84 ADORA2A (0.60) PIK3R1PIK3CAADORA2AADORA1ADORA2B
SCHEMBL6765561 0.83 ALDH1A1 (0.59) PIK3R1PIK3CAADORA2AADORA1ADORA2B
SCHEMBL6769470 0.82 ADORA2A (0.43) ADORA2AADORA1ADORA2BALDH1A1MEN1

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 PIK3R1 1476/4885PIK3CA 1459/4885PIK3CD 1109/4885

“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.