SCHEMBL9899889

SCHEMBL9899889

COc1cc(Cl)nc(NC2CCCN(C(=O)OC(C)(C)C)C2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.46
PIK3CD O00329 1/20 0.45
BTK Q06187 1/20 0.45
EHMT2 Q96KQ7 1/20 0.44
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
PARP1 P09874 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
ALDH1A1 P00352 1/20 0.42
IDH1 O75874 1/20 0.42
ANO1 Q5XXA6 2/20 0.41
PIM1 P11309 2/20 0.41
PIM2 Q9P1W9 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9942554 1.00 USP30 (0.46) USP30PIK3CDBTKEHMT2HDAC4
SCHEMBL30605602 0.93 USP30 (0.50) USP30BTKEHMT2HDAC4HDAC6
SCHEMBL30605598 0.93 USP30 (0.50) USP30BTKEHMT2HDAC4HDAC6
SCHEMBL23793491 0.86 IDH1 (0.50) USP30PIK3CDBTKHDAC4HDAC6
SCHEMBL28544845 0.84 CDK12 (0.60) USP30PIK3CDBTKHDAC4HDAC6
SCHEMBL22895718 0.84 CDK12 (0.60) USP30PIK3CDBTKHDAC4HDAC6
SCHEMBL23292284 0.84 CDK12 (0.60) USP30PIK3CDBTKHDAC4HDAC6
SCHEMBL23255728 0.82 ALDH1A1 (0.47) USP30PIK3CDBTKEHMT2HDAC4
SCHEMBL23255914 0.82 USP30 (0.45) USP30PIK3CDHDAC4HDAC6CNR1
SCHEMBL935824 0.82 USP30 (0.46) USP30PIK3CDBTKEHMT2HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090593-B2 Bicyclic compounds as Pim inhibitors AMGEN INC. (US) 2015-07-28 US disclosed
EP-2796456-A1 Bicyclic compounds as Pim inhibitors Amgen Inc. (US) 2014-10-29 EP disclosed
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2014-01-30 US disclosed
EP-2649065-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2013-10-16 EP disclosed
WO-2012078777-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-06-14 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-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS PIM1, PIM2, PIM3 USP30 3521/4885PIK3CD 544/4885BTK 19/4885

“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.