SCHEMBL8254568

SCHEMBL8254568

O=C(c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1)N1CCC(O)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.55
JAK3 P52333 3/20 0.55
PIK3CA P42336 2/20 0.54
PIK3CB P42338 2/20 0.54
PIK3CG P48736 2/20 0.54
IKBKB O14920 6/20 0.52
CHUK O15111 5/20 0.52
IKBKG Q9Y6K9 4/20 0.51
MEN1 O00255 1/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
KMT2A Q03164 1/20 0.51
PRKCZ Q05513 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CAMK2D Q13557 3/20 0.50
SMG1 Q96Q15 2/20 0.50
PLK1 P53350 1/20 0.50
CLK1 P49759 1/20 0.50
DYRK1A Q13627 1/20 0.50
CLK4 Q9HAZ1 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
SCHEMBL14021066 0.94 PIK3CA (0.52) JAK2JAK3PIK3CAPIK3CBPIK3CG
SCHEMBL4396304 0.91 IKBKB (0.53) JAK2JAK3PIK3CAPIK3CBPIK3CG
SCHEMBL11924743 0.91 GRM5 (0.60) JAK2JAK3PIK3CAPIK3CBPIK3CG
SCHEMBL8312320 0.91 IKBKB (0.53) JAK2JAK3PIK3CAPIK3CBPIK3CG
SCHEMBL8312581 0.90 CDK1 (0.58) JAK2JAK3PIK3CAPIK3CBPIK3CG
Hydrochloric Acid SCHEMBL4066207 0.90 IKBKB (0.53) JAK2JAK3PIK3CAPIK3CBPIK3CG
SCHEMBL14021219 0.89 PIK3CA (0.58) JAK2JAK3PIK3CAPIK3CBPIK3CG
SCHEMBL5070960 0.89 IKBKB (0.64) JAK2JAK3PIK3CAPIK3CBPIK3CG
SCHEMBL11924733 0.89 MTOR (0.60) JAK2JAK3PIK3CAPIK3CBPIK3CG
SCHEMBL14021190 0.89 MTOR (0.60) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150313881-A1 Therapeutic Methods for Type I Diabetes UNIVERSITY OF MASSACHUSETTS 2015-11-05 US disclosed
US-8501812-B2 Therapeutic methods for type I diabetes UNIVERSITY OF MASSACHUSETTS (US) 2013-08-06 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
WO-2006104983-A1 THERAPEUTIC METHODS FOR TYPE I DIABETES UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) 2006-10-05 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-20150313881-A1 Therapeutic Methods for Type I Diabetes MAPK9, IAPP, RNASE1 JAK2 573/4885JAK3 996/4885PIK3CA 2022/4885

“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.