SCHEMBL12085309

SCHEMBL12085309

CN(C)S(=O)(=O)c1ccc(Nc2nc(NC3CCC3)c3cc[nH]c3n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.59
▸ SYK P43405 3/20 0.59
▸ PAK4 O96013 4/20 0.55
▸ JAK3 P52333 10/20 0.54
▸ BTK Q06187 8/20 0.54
▸ CDK1 P06493 2/20 0.45
▸ CCNB1 P14635 2/20 0.45
▸ CDK2 P24941 2/20 0.45
▸ CCNT1 O60563 1/20 0.45
▸ CDK7 P50613 1/20 0.45
▸ CDK9 P50750 1/20 0.45
▸ CCNH P51946 1/20 0.45
▸ CDK5 Q00535 1/20 0.45
▸ CCNB2 O95067 1/20 0.44
▸ CCNA2 P20248 1/20 0.44
▸ CCNA1 P78396 1/20 0.44
▸ CCNB3 Q8WWL7 1/20 0.44

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
SCHEMBL1018471 0.87 IRAK4 (0.55) IRAK4SYKPAK4JAK3BTK
SCHEMBL12085463 0.86 CCNT1 (0.59) IRAK4SYKPAK4JAK3BTK
SCHEMBL14666821 0.86 SYK (0.54) IRAK4SYKPAK4JAK3BTK
SCHEMBL12085427 0.85 IRAK4 (0.58) IRAK4SYKPAK4JAK3BTK
SCHEMBL14547900 0.84 JAK3 (0.69) IRAK4SYKPAK4JAK3BTK
SCHEMBL14547712 0.83 SYK (0.64) IRAK4SYKPAK4JAK3BTK
SCHEMBL12085285 0.82 PAK4 (0.60) IRAK4SYKPAK4JAK3BTK
SCHEMBL12085376 0.82 JAK3 (0.61) IRAK4SYKPAK4JAK3BTK
SCHEMBL14666824 0.82 PAK4 (0.55) IRAK4PAK4JAK3BTK
SCHEMBL1018933 0.81 JAK3 (0.50) IRAK4SYKPAK4JAK3BTK

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-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 — — US disclosed
US-8258144-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-09-04 — — US disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 — — US 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-20130029944-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK2 IRAK4 42/4885SYK 1/4885PAK4 762/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 IRAK4 42/4885SYK 1/4885PAK4 762/4885

“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.

Send feedback