SCHEMBL4071652

SCHEMBL4071652

CCOC(=O)c1ccc(-c2ccnc(Nc3ccc(C(N)=O)cc3)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.67
MAPK10 P53779 1/20 0.67
IKBKB O14920 3/20 0.59
JAK2 O60674 2/20 0.59
CAMKK2 Q96RR4 5/20 0.57
PIK3CG P48736 2/20 0.57
GSK3B P49841 2/20 0.57
MEN1 O00255 1/20 0.55
THRB P10828 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
CHUK O15111 1/20 0.54
CAMK2D Q13557 3/20 0.54
CDK2 P24941 1/20 0.53
KCNH2 Q12809 1/20 0.53
PDPK1 O15530 1/20 0.51
JAK3 P52333 1/20 0.51
ACVR1 Q04771 1/20 0.51
MAPT P10636 1/20 0.49

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
SCHEMBL23897367 0.91 MEN1 (0.57) MAPK8MAPK10IKBKBJAK2MEN1
SCHEMBL2861035 0.89 MEN1 (0.55) MAPK8MAPK10IKBKBJAK2PIK3CG
SCHEMBL13911421 0.86 MAPK8 (0.77) MAPK8MAPK10IKBKBJAK2CAMKK2
SCHEMBL3947629 0.84 ABL1 (0.62) MAPK8MAPK10MEN1THRBRAB9A
SCHEMBL8312801 0.84 MAPK8 (0.64) MAPK8MAPK10IKBKBJAK2CAMKK2
SCHEMBL13911478 0.83 MAPK8 (0.77) MAPK8MAPK10IKBKBJAK2CAMKK2
SCHEMBL14021002 0.83 MAPK8 (0.66) MAPK8MAPK10IKBKBJAK2CAMKK2
SCHEMBL14020971 0.83 MAPK8 (0.63) MAPK8MAPK10IKBKBJAK2CAMKK2
SCHEMBL2866252 0.83 IKBKB (0.53) MAPK8MAPK10IKBKBJAK2MEN1
SCHEMBL4800404 0.82 MAPK8 (0.83) MAPK8MAPK10IKBKBJAK2CAMKK2

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 16 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-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
EP-1349841-A2 ANILINOPYRIMIDINE DERIVATIVES AS IKK INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARMACEUTICALS, INC. (US) 2003-10-08 EP disclosed
EP-1349840-A2 ANILINOPYRIMIDINE DERIVATIVES AS JNK PATHWAY INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARMACEUTICALS, INC. (US) 2003-10-08 EP disclosed
WO-2002046170-A2 ANILINOPYRIMIDINE DERIVATIVES AS JNK PATHWAY INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARMACEUTICALS, INC. (US) 2002-06-13 WO disclosed
WO-2002046171-A2 ANILINOPYRIMIDINE DERIVATIVES AS IKK INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARMACEUTICALS, INC. (US) 2002-06-13 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 (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.