SCHEMBL3492009

SCHEMBL3492009

NC(=O)c1ccc([N+](=O)[O-])c(OC2CCOC2)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 16/20 0.50
PDE4A P27815 9/20 0.50
PDE4B Q07343 9/20 0.50
PDE4C Q08493 9/20 0.50
PARP1 P09874 1/20 0.44
KMT2A Q03164 1/20 0.43
CTPS1 P17812 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL3798842 0.89 CASP6 (0.52) PDE4DPDE4APDE4BPDE4C
SCHEMBL19899988 0.86 PDE4D (0.51) PDE4DPDE4APDE4BPDE4C
SCHEMBL20817334 0.86 PDE4D (0.51) PDE4DPDE4APDE4BPDE4C
SCHEMBL3795836 0.86 PDE4D (0.51) PDE4DPDE4APDE4BPDE4C
SCHEMBL3797953 0.85 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL21158083 0.84 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL21157504 0.84 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL28634248 0.84 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL13083350 0.82 TDP1 (0.44) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL3490506 0.82 PDE4D (0.54) PDE4DPDE4APDE4BPDE4C

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-8633201-B2 Thienopyrimidines having Mnk1/Mnk2 inhibiting activity for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 US disclosed
US-8633201-B2 Thienopyrimidines having Mnk1/Mnk2 inhibiting activity for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 US disclosed
US-8633201-B2 Thienopyrimidines having Mnk1/Mnk2 inhibiting activity for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 US disclosed
EP-2004656-B1 THIENOPYRIMIDINES HAVING MNK1 /MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2013-07-10 EP disclosed
US-20100056548-A1 THIENOPYRIMIDINES HAVING MNK1/MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2010-03-04 US disclosed
US-20100056548-A1 THIENOPYRIMIDINES HAVING MNK1/MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2010-03-04 US disclosed
US-20100056548-A1 THIENOPYRIMIDINES HAVING MNK1/MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2010-03-04 US disclosed
EP-2004656-A1 THIENOPYRIMIDINES HAVING MNKL /MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS DeveloGen Aktiengesellschaft (DE) 2008-12-24 EP disclosed
WO-2007115822-A1 THIENOPYRIMIDINES HAVING MNKL /MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2007-10-18 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-20100056548-A1 THIENOPYRIMIDINES HAVING MNK1/MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS CMPK1, DTYMK, NEK9 PDE4D 1807/4885PDE4A 1121/4885PDE4B 859/4885

“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.