SCHEMBL2406012

SCHEMBL2406012

CC(C)(C)OC(=O)N1CCC[C@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.46
NR1D1 P20393 2/20 0.45
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CHEK2 O96017 1/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
STS P08842 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
BTK Q06187 1/20 0.40
ANO1 Q5XXA6 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL2406011 1.00 PDE4B (0.46) PDE4BNR1D1ALDH1A1MEN1KMT2A
SCHEMBL2406669 0.89 PDE4B (0.47) PDE4BALDH1A1MEN1KMT2ACHEK2
SCHEMBL2406667 0.89 PDE4B (0.47) PDE4BALDH1A1MEN1KMT2ACHEK2
SCHEMBL2407372 0.88 PDE4B (0.46) PDE4BALDH1A1CHEK2LMNAMAPT
SCHEMBL2405553 0.88 PDE4B (0.46) PDE4BALDH1A1CHEK2LMNAMAPT
SCHEMBL2405552 0.88 PDE4B (0.46) PDE4BALDH1A1CHEK2LMNAMAPT
SCHEMBL2406985 0.87 PDE4B (0.45) PDE4BALDH1A1MEN1KMT2ACHEK2
SCHEMBL2406983 0.87 PDE4B (0.45) PDE4BALDH1A1MEN1KMT2ACHEK2
SCHEMBL2407088 0.86 GPR119 (0.46) PDE4BALDH1A1MEN1KMT2ACHEK2
SCHEMBL2407091 0.86 GPR119 (0.46) PDE4BALDH1A1MEN1KMT2ACHEK2

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
EP-2539346-B1 4-[HETEROCYCLOALKYLOXY(HETERO)ARYLAMINO] THIENO[2,3-D]PYRIMIDINES HAVING MNK1/ MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2014-04-16 EP disclosed
US-8648068-B2 Heterocycloalkyl-containing thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-8648068-B2 Heterocycloalkyl-containing thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
EP-2539346-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2013-01-02 EP disclosed
US-20110212102-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US disclosed
WO-2011104337-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 WO disclosed
US-20110212102-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US 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-20110212102-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, TNK2, CMPK1 PDE4B 812/4885NR1D1 4026/4885ALDH1A1 4212/4885

“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.