SCHEMBL2186236

SCHEMBL2186236

Cc1ccc(S(=O)(=O)n2ccc3c(Nc4cn(C)cn4)nc(Cl)nc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.42
BRD4 O60885 4/20 0.41
JAK2 O60674 3/20 0.39
JAK1 P23458 2/20 0.39
JAK3 P52333 2/20 0.39
YTHDC1 Q96MU7 1/20 0.35
PKM P14618 1/20 0.35
PAK4 O96013 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL2244532 0.85 ACVR1 (0.38) ACVR1JAK2JAK1JAK3YTHDC1
SCHEMBL2244571 0.84 ACVR1 (0.44) ACVR1L3MBTL1BRD4JAK2YTHDC1
SCHEMBL25210942 0.81 ACVR1 (0.77) ACVR1
SCHEMBL31095641 0.81 ACVR1 (0.77) ACVR1
SCHEMBL2207043 0.80 L3MBTL1 (0.46) ACVR1L3MBTL1BRD4YTHDC1PKM
SCHEMBL23879021 0.80 PLK4 (0.48) ACVR1L3MBTL1PAK4HTT
SCHEMBL12363494 0.79 JAK2 (0.70) ACVR1JAK2JAK1JAK3PAK4
SCHEMBL2241299 0.78 JAK2 (0.57) JAK2JAK1JAK3YTHDC1PAK4
SCHEMBL14547788 0.78 L3MBTL1 (0.45) ACVR1L3MBTL1BRD4YTHDC1PKM
SCHEMBL5123488 0.78 L3MBTL1 (0.45) ACVR1L3MBTL1BRD4YTHDC1PKM

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-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
US-20110201628-A1 HETEROCYCLIC JAK KINASE INHIBITORS ASTRAZENECA AB (SE) 2011-08-18 US disclosed
EP-2346859-A1 HETEROCYCLIC JAK KINASE INHIBITORS AstraZeneca AB (SE) 2011-07-27 EP disclosed
WO-2010038060-A1 HETEROCYCLIC JAK KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-04-08 WO 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.