SCHEMBL4472577

SCHEMBL4472577

Nc1nc(NCC(=O)N2CCOCC2)nc(C[C@H]2CC[C@H](N)CC2)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.38
MAPK1 P28482 3/20 0.38
LMNA P02545 5/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 6/20 0.37
MAPT P10636 7/20 0.37
GSK3A P49840 3/20 0.37
GSK3B P49841 3/20 0.37
POLB P06746 4/20 0.36
USP2 O75604 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL4481691 0.92 KMT2A (0.39) LMNAALDH1A1MAPTPOLBUSP2
SCHEMBL4483366 0.92 ALDH1A1 (0.37) LMNAALDH1A1MAPTPOLBUSP2
SCHEMBL4481149 0.91 KMT2A (0.40) LMNAALDH1A1MAPTPOLBUSP2
SCHEMBL4476715 0.89 ALDH1A1 (0.33) LMNAALDH1A1MAPTPOLBUSP2
SCHEMBL4477239 0.75 ALDH1A1 (0.45) MAPK1LMNAALDH1A1MAPTGSK3A
SCHEMBL4470832 0.74 ALDH1A1 (0.39) MAPK1LMNAKDM4EALDH1A1MAPT
SCHEMBL4475566 0.73 MAPT (0.60) HTTMAPK1LMNAKDM4EALDH1A1
SCHEMBL13671733 0.73 PRKCQ (0.51) GSK3AGSK3B
SCHEMBL4473465 0.73 MAPT (0.47) HTTMAPK1LMNAKDM4EALDH1A1
SCHEMBL4491551 0.72 CYP1A2 (0.43) HTTMAPK1LMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 US disclosed
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-02 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 (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-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA PRKCZ, PRKCQ, PRKCH HTT 4862/4885MAPK1 662/4885LMNA 2186/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH HTT 4862/4885MAPK1 662/4885LMNA 2186/4885

“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.