SCHEMBL4074601

SCHEMBL4074601

CC(=O)NC1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc(Cl)cc4)n3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 0.50
CHUK O15111 8/20 0.50
IKBKG Q9Y6K9 7/20 0.50
CDK1 P06493 2/20 0.50
CDK2 P24941 1/20 0.50
JAK2 O60674 4/20 0.49
MEN1 O00255 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 1/20 0.49
PRKCZ Q05513 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PIK3CA P42336 2/20 0.49
PIK3CB P42338 2/20 0.49
PIK3CG P48736 2/20 0.49
JAK3 P52333 1/20 0.48

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
SCHEMBL14021619 0.92 CDK1 (0.53) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL14063766 0.90 IKBKB (0.51) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL8312581 0.90 CDK1 (0.58) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL13590857 0.89 CDK1 (0.54) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL11924743 0.89 GRM5 (0.60) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL11924740 0.88 MTOR (0.51) IKBKBCHUKIKBKGCDK1CDK2
Hydrochloric Acid SCHEMBL4071661 0.88 CDK1 (0.53) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL8316042 0.88 IKBKB (0.49) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL8308337 0.88 NAMPT (0.51) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL8254568 0.88 JAK2 (0.55) IKBKBCHUKIKBKGJAK2MEN1

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 17 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
EP-1608375-A1 METHODS FOR TREATING OR PREVENTING AN INFLAMMATORY OR METABOLIC CONDITION BY INHIBITING JNK Signal Pharmaceuticals LLC (US) 2005-12-28 EP disclosed
WO-2004084901-A1 METHODS FOR TREATING OR PREVENTING AN INFLAMMATORY OR METABOLIC CONDITION BY INHIBITING JNK SIGNAL PHARMACEUTICALS, LLC (US) 2004-10-07 WO disclosed
WO-2004084901-A1 METHODS FOR TREATING OR PREVENTING AN INFLAMMATORY OR METABOLIC CONDITION BY INHIBITING JNK SIGNAL PHARMACEUTICALS, LLC (US) 2004-10-07 WO 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 IKBKB 91/4885CHUK 69/4885IKBKG 316/4885
US-20030203926-A1 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto NFKBIA, IKBKB, IKBKE IKBKB 2/4885CHUK 4/4885IKBKG 5/4885
US-20030220330-A1 Anilinopyrimidine derivatives as JNK pathway inhibitors and compositions and methods related thereto MAPK6, MAP3K6, MAPK1 IKBKB 95/4885CHUK 38/4885IKBKG 702/4885
US-20060030576-A1 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto NFKBIA, IKBKB, IKBKE IKBKB 2/4885CHUK 4/4885IKBKG 5/4885

“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.