SCHEMBL4465037

SCHEMBL4465037

Nc1nc(NCc2ccccc2OC(F)(F)F)nc(C[C@H]2CC[C@H](N3CCC3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.48
DCPS Q96C86 1/20 0.38
SLC6A4 P31645 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
EPHX2 P34913 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
BLM P54132 1/20 0.36
CDK5 Q00535 1/20 0.36
ATM Q13315 1/20 0.36
CDK5R1 Q15078 1/20 0.36
ALDH1A1 P00352 5/20 0.36
LMNA P02545 5/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2J2 P51589 2/20 0.36
MAPK1 P28482 2/20 0.36
MAPT P10636 3/20 0.36

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
SCHEMBL4482903 0.95 PRKCQ (0.44) PRKCQDCPSSLC6A4HRH3EPHX2
SCHEMBL4479794 0.94 PRKCQ (0.44) PRKCQDCPSSLC6A4HRH3EPHX2
SCHEMBL4492815 0.93 PRKCQ (0.46) PRKCQDCPSSLC6A4HRH3EPHX2
SCHEMBL4476930 0.93 PRKCQ (0.46) PRKCQDCPSEPHX2KMT2AMEN1
SCHEMBL5999683 0.93 PRKCQ (0.46) PRKCQDCPSSLC6A4HRH3EPHX2
SCHEMBL4479611 0.93 SLC6A4 (0.43) PRKCQDCPSSLC6A4HRH3EPHX2
SCHEMBL4479060 0.92 PRKCQ (0.45) PRKCQDCPSEPHX2ALDH1A1LMNA
SCHEMBL4482708 0.92 PRKCQ (0.46) PRKCQDCPSEPHX2KMT2AALDH1A1
SCHEMBL4485509 0.91 PRKCQ (0.47) PRKCQDCPSEPHX2KMT2AALDH1A1
SCHEMBL4477138 0.91 PRKCQ (0.47) PRKCQDCPSEPHX2KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 US claimed
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
EP-1765791-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-03-28 EP disclosed
WO-2006014482-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-09 WO 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 PRKCQ 2/4885DCPS 587/4885SLC6A4 4743/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885DCPS 587/4885SLC6A4 4743/4885

“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.