SCHEMBL4898219

SCHEMBL4898219

CN(C)CCCNS(=O)(=O)c1ccc(C(N)=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.67
CA2 P00918 1/20 0.67
CA9 Q16790 1/20 0.67
ALOX15 P16050 1/20 0.65
HDAC4 P56524 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
NPSR1 Q6W5P4 3/20 0.52
TSHR P16473 1/20 0.52
BRAF P15056 1/20 0.52
ALDH1A1 P00352 7/20 0.51
MAPK1 P28482 1/20 0.51
GFER P55789 1/20 0.51
SFRP1 Q8N474 1/20 0.48
HTT P42858 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 2/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL4065567 0.91 TSHR (0.63) CA12CA2CA9ALOX15HDAC4
SCHEMBL3322325 0.82 CA2 (0.74) CA12CA2CA9ALOX15HDAC4
SCHEMBL1667391 0.82 CA12 (0.74) CA12CA2CA9ALOX15HDAC4
SCHEMBL27418952 0.82 ALDH1A1 (0.58) CA12CA2CA9BRAFALDH1A1
SCHEMBL18553819 0.80 CA12 (1.00) CA12CA2CA9ALOX15HDAC4
SCHEMBL5456430 0.80 CA2 (0.65) CA12CA2CA9BRAFALDH1A1
SCHEMBL12570941 0.80 CA2 (0.51) CA12CA2CA9HDAC4HDAC6
SCHEMBL31374287 0.79 CA2 (0.74) CA12CA2CA9ALOX15HDAC4
SCHEMBL6034675 0.79 CA12 (0.74) CA12CA2CA9ALOX15HDAC4
SCHEMBL10816772 0.79 CA12 (0.73) CA12CA2CA9ALOX15NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108611-A1 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-08 US claimed
WO-2007084815-A2 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-26 WO claimed
US-20080108611-A1 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-08 US disclosed
WO-2007084815-A2 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-26 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-20080108611-A1 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS MAP4K2, MAP3K6, MAP3K2 CA12 4842/4885CA2 3802/4885CA9 4719/4885

“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.