SCHEMBL8249628

SCHEMBL8249628

C[C@@H]1CN(C(=O)c2ccc(Nc3nccc(-c4ccc(SCC(C)(C)O)cc4)n3)cc2)CCN1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 7/20 0.47
▸ CHUK O15111 7/20 0.47
▸ IKBKG Q9Y6K9 2/20 0.46
▸ CDK1 P06493 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ JAK2 O60674 8/20 0.42
▸ JAK3 P52333 7/20 0.42
▸ ZAP70 P43403 3/20 0.42
▸ JAK1 P23458 5/20 0.42
▸ TYK2 P29597 2/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ NCOR1 O75376 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ BMPR1B O00238 1/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ CIT O14578 1/20 0.41
▸ GAK O14976 1/20 0.41

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
SCHEMBL8312437 0.94 IKBKB (0.47) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL8308477 0.92 IKBKB (0.46) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL14021278 0.87 IKBKB (0.46) IKBKBCHUKCDK1CDK2JAK2
SCHEMBL14021276 0.85 IKBKB (0.55) IKBKBCHUKCDK1CDK2JAK2
SCHEMBL14021271 0.85 IKBKB (0.55) IKBKBCHUKCDK1CDK2JAK2
SCHEMBL14021274 0.85 IKBKB (0.55) IKBKBCHUKCDK1CDK2JAK2
SCHEMBL8312555 0.85 IKBKB (0.52) IKBKBCHUKIKBKG
SCHEMBL8315467 0.83 IKBKB (0.52) IKBKBCHUKIKBKGJAK2PLK4
SCHEMBL14063856 0.79 IKBKB (0.53) IKBKBCHUKJAK2
SCHEMBL8311749 0.79 IKBKB (0.55) IKBKBCHUKIKBKGCDK1CDK2

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 9 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-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-8501812-B2 Therapeutic methods for type I diabetes UNIVERSITY OF MASSACHUSETTS (US) 2013-08-06 — — US disclosed
US-20120208846-A1 Therapeutic Methods For Type I Diabetes UNIVERSITY OF MASSACHUSETTS 2012-08-16 — — US disclosed
US-20120208846-A1 Therapeutic Methods For Type I Diabetes UNIVERSITY OF MASSACHUSETTS 2012-08-16 — — US disclosed
US-7897572-B1 Theraputic methods for type I diabetes UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) 2011-03-01 — — US disclosed
US-7897572-B1 Theraputic methods for type I diabetes UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) 2011-03-01 — — 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 (2 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 IKBKB 755/4885CHUK 433/4885IKBKG 1907/4885
US-20120208846-A1 Therapeutic Methods For Type I Diabetes MAPK9, IAPP, RNASE1 IKBKB 755/4885CHUK 433/4885IKBKG 1907/4885

“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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