SCHEMBL6765741

SCHEMBL6765741

N#Cc1cc(-c2ccc(OCc3ccccc3)cc2)c(-c2ccco2)nc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.48
CNR1 P21554 3/20 0.48
ADORA2A P29274 5/20 0.45
ADORA1 P30542 5/20 0.45
ADORA2B P29275 4/20 0.45
GSTP1 P09211 1/20 0.44
MAPT P10636 3/20 0.44
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
MAOB P27338 2/20 0.44
GHSR Q92847 1/20 0.43
FFAR1 O14842 1/20 0.41
AKR1B1 P15121 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL6769587 0.91 IGF1R (0.46) CNR1ADORA2AADORA1ADORA2BHSD17B10
SCHEMBL6769704 0.86 ADORA1 (0.49) ADORA2AADORA1ADORA2BMAPTHSD17B10
SCHEMBL6766048 0.85 ADORA2A (0.57) ADORA2AADORA1ADORA2BMAPTHSD17B10
SCHEMBL6768976 0.85 ADORA2A (0.60) ADORA2AADORA1ADORA2BMAPTHSD17B10
SCHEMBL6765624 0.83 ADORA1 (0.64) CNR1ADORA2AADORA1ADORA2BMAPT
SCHEMBL3834584 0.83 ADORA2A (0.48) ADORA2AADORA1ADORA2BMAPTHSD17B10
SCHEMBL6768405 0.81 BRD4 (0.46) ADORA2AADORA1ADORA2BMAPTHSD17B10
SCHEMBL6775680 0.81 ADORA1 (0.54) ADORA2AADORA1ADORA2BMAPTHSD17B10
SCHEMBL6775171 0.80 ADORA2A (0.48) PIM1ADORA2AADORA1ADORA2BMAPT
SCHEMBL6765561 0.80 ALDH1A1 (0.59) ADORA2AADORA1ADORA2BMAPTHSD17B10

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 PIM1 3522/4885CNR1 25/4885ADORA2A 3/4885

“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.