SCHEMBL8230261

SCHEMBL8230261

CC(=O)c1cn(C(C)C)nc1I

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.36
ADORA1 P30542 3/20 0.36
ACHE P22303 2/20 0.34
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C19 P33261 1/20 0.33
AADAT Q8N5Z0 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL28694360 0.84 ADORA2A (0.44) ADORA2AADORA1ACHEAADATADORA3
SCHEMBL27890560 0.81 ADORA2A (0.35) ADORA2AADORA1ACHEAADATADORA3
SCHEMBL22649179 0.79 SMN1; SMN2 (0.41) ADORA2AADORA1ACHEHTTALDH1A1
SCHEMBL8234617 0.78 ADORA2A (0.42) ADORA2AADORA1ACHEHTTALDH1A1
SCHEMBL8233450 0.75 MAPT (0.39) HTTALDH1A1CYP2C19SMN1; SMN2POLB
SCHEMBL8233451 0.75 MAPT (0.39) HTTALDH1A1CYP2C19SMN1; SMN2POLB
SCHEMBL8234005 0.75 NAMPT (0.39) HTTALDH1A1CYP2C19SMN1; SMN2POLB
SCHEMBL27890587 0.74 ADORA2A (0.36) ADORA2AADORA1ACHEAADATADORA3
SCHEMBL15723787 0.74 ACHE (0.41) ADORA2AADORA1ACHEALDH1A1ADORA3
SCHEMBL3759226 0.70 NAMPT (0.43) HTTALDH1A1SMN1; SMN2POLB

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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49556-E1 Compounds and compositions as protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2023-06-20 US claimed
US-8501758-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2013-08-06 US claimed
EP-2470526-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2012-07-04 EP claimed
US-20110306625-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-12-15 US claimed
WO-2011025927-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-03-03 WO claimed
US-RE49556-E1 Compounds and compositions as protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2023-06-20 US disclosed
US-RE49556-E1 Compounds and compositions as protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2023-06-20 US disclosed
US-RE49556-E1 Compounds and compositions as protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2023-06-20 US disclosed
US-20230116233-A1 Compounds And Compositions As Protein Kinase Inhibitors ARRAY BIOPHARMA INC (US) 2023-04-13 US disclosed
US-20200323852-A1 Compounds And Compositions As Protein Kinase Inhibitors IRM LLC (BM) 2020-10-15 US disclosed
US-20200323852-A1 Compounds And Compositions As Protein Kinase Inhibitors IRM LLC (BM) 2020-10-15 US disclosed
US-10576080-B2 Compounds and compositions as protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2020-03-03 US disclosed
US-8501758-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2013-08-06 US disclosed
US-8501758-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2013-08-06 US disclosed
EP-2470526-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2012-07-04 EP disclosed
US-20110306625-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-12-15 US disclosed
US-20110306625-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-12-15 US disclosed
US-20110306625-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-12-15 US disclosed
WO-2011025927-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-03-03 WO disclosed
WO-2011025927-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-03-03 WO 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 (4 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-20200323852-A1 Compounds And Compositions As Protein Kinase Inhibitors BRAF, RAF1, ARAF ADORA2A 4184/4885ADORA1 4615/4885ACHE 4568/4885
US-20110306625-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS BRAF, RAF1, ARAF ADORA2A 4184/4885ADORA1 4615/4885ACHE 4568/4885
US-20230116233-A1 Compounds And Compositions As Protein Kinase Inhibitors BRAF, RAF1, ARAF ADORA2A 4184/4885ADORA1 4615/4885ACHE 4568/4885
US-10576080-B2 Compounds and compositions as protein kinase inhibitors BRAF, RAF1, ARAF ADORA2A 4184/4885ADORA1 4615/4885ACHE 4568/4885

“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.