SCHEMBL6765797

SCHEMBL6765797

NC(=O)c1cc(-c2ccncc2)c(-c2cccc(F)c2)nc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 4/20 0.55
ADORA3 P0DMS8 2/20 0.55
ADORA2A P29274 2/20 0.55
ADORA2B P29275 2/20 0.55
ADORA1 P30542 2/20 0.55
IKBKB O14920 3/20 0.49
CHUK O15111 2/20 0.49
IKBKE Q14164 1/20 0.48
PKMYT1 Q99640 1/20 0.48
CHEK2 O96017 3/20 0.47
MAP4K4 O95819 2/20 0.47
PIM1 P11309 2/20 0.46
CDK2 P24941 2/20 0.46
GSK3B P49841 2/20 0.46
ROCK2 O75116 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
MAPK13 O15264 1/20 0.43
RAF1 P04049 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43

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
SCHEMBL4049728 0.81 ADORA2A (0.52) CDC7ADORA3ADORA2AADORA2BADORA1
SCHEMBL4059867 0.80 ADORA2A (0.51) CDC7ADORA3ADORA2AADORA2BADORA1
SCHEMBL4052641 0.77 ADORA2A (0.48) CDC7ADORA3ADORA2AADORA2BADORA1
SCHEMBL3057933 0.76 MAPK14 (0.55) CDC7ADORA3ADORA2AADORA2BADORA1
SCHEMBL4052164 0.76 ADORA2B (0.74) ADORA3ADORA2AADORA2BADORA1GSK3B
SCHEMBL4052370 0.76 ADORA2A (0.47) CDC7ADORA3ADORA2AADORA2BADORA1
SCHEMBL6765596 0.76 ADORA1 (0.49) ADORA3ADORA2AADORA2BADORA1CHUK
SCHEMBL4053433 0.76 ADORA2B (0.63) CDC7ADORA3ADORA2AADORA2BADORA1
SCHEMBL22172381 0.75 MAP4K4 (0.51) CHEK2MAP4K4
SCHEMBL30721843 0.75 MAP4K4 (0.51) CHEK2MAP4K4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017483-A1 AMINOPYRIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN-KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD (CN) 2022-01-20 US disclosed
EP-3904348-A1 AMINOPYRIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2021-11-03 EP disclosed
WO-2020135195-A1 AMINOPYRIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2020-07-02 WO 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 (2 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-20220017483-A1 AMINOPYRIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF ADORA1, ADORA2A, ADORA2B CDC7 3049/4885ADORA3 4/4885ADORA2A 2/4885
US-20040006082-A1 2-Aminopyridine compounds and use thereof as drugs ADORA1, ADORA2B, ADORA2A CDC7 2573/4885ADORA3 4/4885ADORA2A 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.