SCHEMBL6768530

SCHEMBL6768530

Cc1ccccc1-c1cc(C#N)c(N)nc1-c1ccco1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
HSD17B10 Q99714 6/20 0.47
HPGD P15428 5/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
CASP1 P29466 2/20 0.47
BLM P54132 1/20 0.47
ADORA2A P29274 9/20 0.45
ADORA1 P30542 9/20 0.45
ADORA2B P29275 8/20 0.45
LMNA P02545 1/20 0.43
KDM4E B2RXH2 6/20 0.42
MAPT P10636 3/20 0.42
TSHR P16473 3/20 0.42
GAA P10253 3/20 0.42
POLB P06746 2/20 0.42
GLA P06280 2/20 0.42
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PSMD14 O00487 1/20 0.40

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
SCHEMBL6775433 0.86 ADORA2A (0.56) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL6775016 0.85 PIK3R1 (0.50) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL6769161 0.85 ADORA2A (0.46) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL6765522 0.84 ADORA2A (0.44) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL6768976 0.84 ADORA2A (0.60) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL6775171 0.83 ADORA2A (0.48) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL6768702 0.83 ADORA2A (0.41) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL6769470 0.82 ADORA2A (0.43) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL6769483 0.82 PIK3R1 (0.53) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL6766048 0.81 ADORA2A (0.57) ALDH1A1HSD17B10HPGDMEN1KMT2A

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 ALDH1A1 455/4885HSD17B10 2572/4885HPGD 1908/4885

“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.