SCHEMBL3049760

SCHEMBL3049760

O=C(c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1)N1CCN(CCO)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.51
▸ PIK3CA P42336 2/20 0.51
▸ PIK3CB P42338 2/20 0.51
▸ PIK3CG P48736 2/20 0.51
▸ JAK1 P23458 2/20 0.51
▸ AIMP2 Q13155 1/20 0.50
▸ JAK2 O60674 4/20 0.49
▸ IKBKB O14920 3/20 0.49
▸ JAK3 P52333 2/20 0.49
▸ CHUK O15111 2/20 0.49
▸ CDK1 P06493 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ ABL1 P00519 1/20 0.49
▸ BCR P11274 1/20 0.49
▸ MAPKAPK2 P49137 1/20 0.49
▸ CAMK2D Q13557 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ IKBKG Q9Y6K9 1/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ NCOR1 O75376 1/20 0.47

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
SCHEMBL14021629 0.92 JAK2 (0.54) PIK3CAPIK3CBPIK3CGJAK1AIMP2
SCHEMBL14021295 0.91 AIMP2 (0.52) SYKPIK3CAPIK3CBPIK3CGAIMP2
SCHEMBL14021310 0.91 SYK (0.53) SYKPIK3CAPIK3CBPIK3CGAIMP2
SCHEMBL8311018 0.89 JAK2 (0.61) SYKPIK3CAPIK3CBPIK3CGJAK1
SCHEMBL13590773 0.89 PIK3CA (0.47) PIK3CAPIK3CBPIK3CGJAK1AIMP2
SCHEMBL14021306 0.89 SYK (0.54) SYKPIK3CAPIK3CBPIK3CGJAK1
SCHEMBL4392408 0.89 PIK3CA (0.51) PIK3CAPIK3CBPIK3CGJAK1AIMP2
SCHEMBL14021308 0.88 JAK2 (0.55) SYKJAK1JAK2JAK3CDK2
SCHEMBL4063696 0.88 JAK2 (0.50) PIK3CAPIK3CBPIK3CGJAK1AIMP2
SCHEMBL8312148 0.88 CDK1 (0.62) PIK3CAPIK3CBPIK3CGAIMP2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931322-B1 IKK INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS MERCK SERONO SA (CH) 2012-08-15 — — EP disclosed
EP-2266561-A2 IKK Inhibitors for the Treatment of Endometriosis Merck Serono S.A. (CH) 2010-12-29 — — EP disclosed
US-20100069387-A1 IKK Inhibitors for the Treatment of Endometriosis MERCK SERONO SA (CH) 2010-03-18 — — 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
EP-1931322-A1 IKK INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS Laboratoires Serono SA (CH) 2008-06-18 — — EP disclosed
WO-2007030362-A1 IKK INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS LABORATOIRES SERONO SA. (CH) 2007-03-15 — — 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

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-20100069387-A1 IKK Inhibitors for the Treatment of Endometriosis NFKBIA, IKBKG, IKBKE SYK 640/4885PIK3CA 1177/4885PIK3CB 898/4885

“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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