SCHEMBL4073695

SCHEMBL4073695

NC(=O)c1ccc(Nc2nccc(-c3ccc(S(=O)(=O)c4cccnc4)cc3)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.65
MAPK10 P53779 2/20 0.65
IKBKB O14920 8/20 0.60
CHUK O15111 1/20 0.60
GSK3B P49841 2/20 0.56
CAMKK2 Q96RR4 2/20 0.56
PIK3CG P48736 1/20 0.56
JAK2 O60674 1/20 0.55
CAMK2D Q13557 3/20 0.53
CDK4 P11802 1/20 0.52
CDK2 P24941 1/20 0.52
ACVR1 Q04771 1/20 0.52
HDAC1 Q13547 1/20 0.52
ABL1 P00519 1/20 0.50
EGFR P00533 1/20 0.50
PRKCA P17252 1/20 0.50
PRKCD Q05655 1/20 0.50

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
SCHEMBL8312592 0.92 MAPK8 (0.78) MAPK8MAPK10IKBKBCHUKGSK3B
SCHEMBL4073555 0.89 MAPK8 (0.67) MAPK8MAPK10IKBKBCHUKGSK3B
SCHEMBL4064743 0.86 IKBKB (0.70) MAPK8MAPK10IKBKBCHUKGSK3B
SCHEMBL14021523 0.86 MAPK8 (0.46) MAPK8MAPK10IKBKBCHUKGSK3B
SCHEMBL4903328 0.85 MAPK8 (0.81) MAPK8MAPK10IKBKBGSK3BCAMKK2
SCHEMBL4834740 0.84 MAPK8 (0.69) MAPK8MAPK10IKBKBCHUKGSK3B
SCHEMBL13911505 0.81 IKBKB (0.64) MAPK8MAPK10IKBKBCHUKGSK3B
SCHEMBL4903457 0.80 MAPK8 (0.81) MAPK8MAPK10IKBKBCHUKGSK3B
SCHEMBL8246523 0.80 MAPK8 (1.00) MAPK8MAPK10IKBKBCHUKGSK3B
SCHEMBL4800404 0.79 MAPK8 (0.83) MAPK8MAPK10IKBKBCHUKGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349841-B1 ANILINOPYRIMIDINE DERIVATIVES AS IKK INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARM LLC (US) 2009-12-02 EP disclosed
EP-1349840-B1 ANILINOPYRIMIDINE DERIVATIVES AS JNK PATHWAY INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARM LLC (US) 2009-03-11 EP disclosed
US-7442699-B2 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-28 US disclosed
US-7442699-B2 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-28 US disclosed
US-7442699-B2 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-28 US disclosed
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 US disclosed
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 US disclosed
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 US disclosed
US-7129242-B2 Anilinopyrimidine derivatives as JNK pathway inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2006-10-31 US disclosed
US-7122544-B2 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2006-10-17 US disclosed
US-20060030576-A1 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC 2006-02-09 US disclosed
US-20040106634-A1 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC 2004-06-03 US disclosed
US-20030220330-A1 Anilinopyrimidine derivatives as JNK pathway inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC 2003-11-27 US disclosed
US-20030203926-A1 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC 2003-10-30 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 (4 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-20040106634-A1 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK MAPK6, MAPKAPK2, DUSP6 MAPK8 18/4885MAPK10 62/4885IKBKB 91/4885
US-20030203926-A1 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto NFKBIA, IKBKB, IKBKE MAPK8 224/4885MAPK10 845/4885IKBKB 2/4885
US-20030220330-A1 Anilinopyrimidine derivatives as JNK pathway inhibitors and compositions and methods related thereto MAPK6, MAP3K6, MAPK1 MAPK8 8/4885MAPK10 56/4885IKBKB 95/4885
US-20060030576-A1 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto NFKBIA, IKBKB, IKBKE MAPK8 168/4885MAPK10 747/4885IKBKB 2/4885

“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.