SCHEMBL4806626

SCHEMBL4806626

CCOC(=O)CN1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc(Cl)cc4)n3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 9/20 0.49
▸ JAK3 P52333 6/20 0.49
▸ PIK3CA P42336 2/20 0.48
▸ PIK3CB P42338 2/20 0.48
▸ PIK3CG P48736 2/20 0.48
▸ CDK2 P24941 2/20 0.47
▸ CDK1 P06493 1/20 0.47
▸ AIMP2 Q13155 1/20 0.46
▸ IKBKB O14920 3/20 0.45
▸ CHUK O15111 2/20 0.45
▸ DYRK2 Q92630 1/20 0.45
▸ MAPKAPK2 P49137 1/20 0.45
▸ HDAC1 Q13547 3/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.45
▸ IKBKG Q9Y6K9 1/20 0.43
▸ JAK1 P23458 2/20 0.43
▸ TYK2 P29597 2/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ NCOR1 O75376 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43

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
SCHEMBL14021228 0.90 PIK3CA (0.53) JAK2JAK3PIK3CAPIK3CBPIK3CG
SCHEMBL13590765 0.88 JAK2 (0.51) JAK2JAK3PIK3CAPIK3CBPIK3CG
SCHEMBL8311018 0.88 JAK2 (0.61) JAK2JAK3PIK3CAPIK3CBPIK3CG
SCHEMBL8311614 0.88 PIK3CA (0.47) JAK2JAK3PIK3CAPIK3CBPIK3CG
SCHEMBL14063777 0.88 JAK2 (0.49) JAK2JAK3PIK3CAPIK3CBPIK3CG
SCHEMBL14021629 0.87 JAK2 (0.54) JAK2JAK3PIK3CAPIK3CBPIK3CG
SCHEMBL4392408 0.87 PIK3CA (0.51) JAK2JAK3PIK3CAPIK3CBPIK3CG
SCHEMBL4063691 0.87 JAK2 (0.52) JAK2JAK3PIK3CAPIK3CBPIK3CG
SCHEMBL14021327 0.87 JAK2 (0.49) JAK2JAK3PIK3CAPIK3CBPIK3CG
SCHEMBL14021410 0.87 PIK3CA (0.46) JAK2JAK3PIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 — — US 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

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-20040106634-A1 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK MAPK6, MAPKAPK2, DUSP6 JAK2 139/4885JAK3 746/4885PIK3CA 2501/4885

“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.

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