SCHEMBL6322755

SCHEMBL6322755

Cc1ccsc1-c1noc(N)c1C(=O)NCc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 9/20 0.46
MAPK8 P45983 8/20 0.46
POLB P06746 1/20 0.46
MAPK9 P45984 5/20 0.42
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
BACE1 P56817 2/20 0.41
CA2 P00918 1/20 0.41
F12 P00748 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
KMT2A Q03164 1/20 0.40
KLKB1 P03952 2/20 0.39

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
SCHEMBL6318143 0.89 POLB (0.49) POLBADORA2AADORA1CA2KMT2A
SCHEMBL6321770 0.86 ALDH1A1 (0.50) POLBKMT2A
SCHEMBL6322200 0.86 POLB (0.47) POLBADORA2AADORA1KMT2A
SCHEMBL6316275 0.86 KMT2A (0.56) POLBKMT2A
SCHEMBL6318418 0.86 POLB (0.53) POLBKMT2A
SCHEMBL6316578 0.85 NPC1 (0.54) POLBKMT2A
SCHEMBL6324234 0.84 NTRK1 (0.47) MAPK10POLBKMT2A
SCHEMBL6316125 0.82 POLB (0.47) POLBADORA2AADORA1KMT2A
SCHEMBL6315404 0.82 KMT2A (0.47) POLBKMT2A
SCHEMBL6318890 0.81 ADORA1 (0.44) POLBADORA2AADORA1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
CN-1549714-A Aminoisoxazole derivatives active as kinase inhibitors 2004-11-24 CN claimed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP claimed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO claimed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 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 (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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 MAPK10 431/4885MAPK8 190/4885POLB 872/4885

“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.