SCHEMBL4475219

SCHEMBL4475219

Nc1nc(NCc2ccccc2F)nc(C[C@H]2CC[C@H](N)CC2)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 3/20 0.47
MAPT P10636 4/20 0.43
MGMT P16455 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
ATM Q13315 2/20 0.42
POLB P06746 3/20 0.41
CYP1A2 P05177 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
BLM P54132 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
VCP P55072 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL4471148 0.92 PRKCQ (0.49) PRKCQMAPTMGMTKMT2AMEN1
SCHEMBL4479907 0.92 PRKCQ (0.50) PRKCQMAPTMGMTKMT2AMEN1
SCHEMBL3817776 0.92 PRKCQ (0.56) PRKCQMAPTMGMTKMT2AMEN1
SCHEMBL4484863 0.88 PRKCQ (0.47) PRKCQMAPTKMT2APOLBL3MBTL1
SCHEMBL4477250 0.88 PRKCQ (0.48) PRKCQMAPTPOLBL3MBTL1HPGD
SCHEMBL4479327 0.88 PRKCQ (0.42) PRKCQMAPTKMT2AATMPOLB
SCHEMBL4475836 0.88 PRKCQ (0.40) PRKCQMAPTKMT2AMEN1ATM
SCHEMBL4490150 0.87 MAPT (0.42) PRKCQMAPTKMT2AMEN1ATM
SCHEMBL4483283 0.87 PRKCQ (0.42) PRKCQMAPTKMT2AATMPOLB
SCHEMBL4483348 0.87 PRKCQ (0.40) PRKCQMAPTKMT2AMEN1ATM

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 5 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
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 2/4885MAPT 3483/4885MGMT 3861/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885MAPT 3483/4885MGMT 3861/4885

“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.