SCHEMBL4774639

SCHEMBL4774639

CC(C)CC1CN(C(=O)OC(C)(C)C)C(=O)CC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.38
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.35
THRB P10828 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
NR1H2 P55055 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 2/20 0.34
ABCB11 O95342 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
SCN1A P35498 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL30625814 0.88 DDB1 (0.39) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL15561516 0.86 DDB1 (0.32) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL4769216 0.84 DDB1 (0.37) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL30961345 0.83 NR1H2 (0.39) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL23888477 0.83 DDB1 (0.36) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL30625736 0.82 DDB1 (0.36) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL15561525 0.82 DDB1 (0.33) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL30624286 0.81 DDB1 (0.34) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL15561536 0.81 NR1H2 (0.31) NR1H2
SCHEMBL15561534 0.81 NR1H2 (0.31) NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394297-B2 Amides as pim inhibitors AMGEN INC. (US) 2016-07-19 US disclosed
US-9394297-B2 Amides as pim inhibitors AMGEN INC. (US) 2016-07-19 US disclosed
US-20150329538-A1 AMIDES AS PIM INHIBITORS AMGEN INC. (US) 2015-11-19 US disclosed
US-20150329538-A1 AMIDES AS PIM INHIBITORS AMGEN INC. (US) 2015-11-19 US disclosed
WO-2013130660-A1 AMIDES AS PIM INHIBITORS AMGEN INC. (US) 2013-09-06 WO disclosed
WO-2013130660-A1 AMIDES AS PIM INHIBITORS AMGEN INC. (US) 2013-09-06 WO disclosed
EP-1660085-B1 PYRIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-10-15 EP disclosed
EP-1660475-B1 PYRIMIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-05-28 EP disclosed
US-7279575-B2 Pyrimidylpyrrole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2007-10-09 US disclosed
EP-1660085-A1 PYRIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2006-05-31 EP disclosed
EP-1660475-A1 PYRIMIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2006-05-31 EP disclosed
US-20050043346-A1 Pyridylpyrrole derivatives active as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2005-02-24 US disclosed
US-20050043323-A1 Pyrimidylpyrrole derivatives active as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2005-02-24 US disclosed
WO-2005013986-A1 PYRIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2005-02-17 WO disclosed
WO-2005014572-A1 PYRIMIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2005-02-17 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 (3 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-20050043346-A1 Pyridylpyrrole derivatives active as kinase inhibitors MAP3K6, MAP3K5, MAP4K2 MME 4615/4885KDM4E 803/4885MAPT 2304/4885
US-20050043323-A1 Pyrimidylpyrrole derivatives active as kinase inhibitors TYMP, DTYMK, DCK MME 4625/4885KDM4E 959/4885MAPT 3667/4885
US-20150329538-A1 AMIDES AS PIM INHIBITORS PIM1, PIM3, PIM2 MME 2232/4885KDM4E 267/4885MAPT 3261/4885

“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.