SCHEMBL2244571

SCHEMBL2244571

Cc1ccc(S(=O)(=O)n2ccc3nc(Cl)nc(Nc4cn(C)cn4)c32)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.38
BRD4 O60885 6/20 0.37
ALDH3A1 P30838 2/20 0.37
NOD1 Q9Y239 2/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
PAK4 O96013 1/20 0.33
ALDH1A1 P00352 1/20 0.33
YTHDC1 Q96MU7 1/20 0.32
JAK2 O60674 1/20 0.32
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
PKM P14618 1/20 0.31
CXCL8 P10145 1/20 0.31
GAA P10253 1/20 0.31
NOD2 Q9HC29 1/20 0.31

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
SCHEMBL25513270 0.85 ACVR1 (0.53) ACVR1L3MBTL1BRD4ALDH3A1NOD1
SCHEMBL2186236 0.84 ACVR1 (0.50) ACVR1L3MBTL1BRD4ALDH3A1NOD1
SCHEMBL25201366 0.81 ACVR1 (0.68) ACVR1
SCHEMBL28978678 0.80 PAK4 (0.43) ACVR1HTTPAK4JAK2
SCHEMBL12363406 0.78 JAK2 (0.60) ACVR1JAK2ABL1
SCHEMBL2244532 0.77 ACVR1 (0.38) ACVR1ALDH3A1PAK4YTHDC1JAK2
SCHEMBL2241322 0.75 L3MBTL1 (0.46) L3MBTL1BRD4ALDH3A1NOD1POLB
SCHEMBL31507532 0.71 L3MBTL1 (0.40) ACVR1L3MBTL1BRD4ALDH3A1NOD1
SCHEMBL22055000 0.71 PIK3C3 (0.48) L3MBTL1HTTPAK4ALDH1A1
SCHEMBL29392029 0.69 NTRK1 (0.42) BRD4

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-20110201628-A1 HETEROCYCLIC JAK KINASE INHIBITORS ASTRAZENECA AB (SE) 2011-08-18 US disclosed
US-20110201628-A1 HETEROCYCLIC JAK KINASE INHIBITORS ASTRAZENECA AB (SE) 2011-08-18 US disclosed
WO-2010038060-A1 HETEROCYCLIC JAK KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-04-08 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-20110201628-A1 HETEROCYCLIC JAK KINASE INHIBITORS JAK2, JAK1, JAK3 ACVR1 1794/4885L3MBTL1 4165/4885BRD4 491/4885

“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.