SCHEMBL6766048

SCHEMBL6766048

N#Cc1cc(-c2ccc(-c3ccccc3)cc2)c(-c2ccco2)nc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.57
ADORA1 P30542 9/20 0.57
ADORA2B P29275 6/20 0.57
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
HSD17B10 Q99714 6/20 0.51
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 5/20 0.51
CASP1 P29466 4/20 0.51
HPGD P15428 4/20 0.51
USP2 O75604 4/20 0.51
POLB P06746 4/20 0.51
MAPT P10636 4/20 0.51
BLM P54132 3/20 0.51
CASP7 P55210 3/20 0.51
ALOX15 P16050 3/20 0.51
GAA P10253 3/20 0.51
MAPK1 P28482 2/20 0.51
ESR1 P03372 1/20 0.51
MYC P01106 1/20 0.48

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
SCHEMBL6768976 0.97 ADORA2A (0.60) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL6775541 0.93 ADORA1 (0.52) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL3834584 0.90 ADORA2A (0.48) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL6769328 0.90 ADORA1 (0.50) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL6769704 0.90 ADORA1 (0.49) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL6775171 0.89 ADORA2A (0.48) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL6765561 0.89 ALDH1A1 (0.59) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL6768405 0.88 BRD4 (0.46) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL3840501 0.88 PIK3R1 (0.49) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL6775433 0.87 ADORA2A (0.56) 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 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 1/4885ADORA2B 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.