SCHEMBL4475471

SCHEMBL4475471

Nc1nc(NCc2ccccc2OC(F)(F)F)nc(C[C@H]2CC[C@H](NCc3cccc(F)c3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 3/20 0.44
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP1A2 P05177 1/20 0.43
MEN1 O00255 3/20 0.38
MAPT P10636 6/20 0.38
MGMT P16455 1/20 0.37
PKM P14618 1/20 0.36
APP P05067 1/20 0.36
POLB P06746 2/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
MAPK1 P28482 2/20 0.35
BLM P54132 2/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4472436 0.93 PRKCQ (0.46) PRKCQKMT2AL3MBTL1CYP1A2MEN1
SCHEMBL4479734 0.93 PRKCQ (0.48) PRKCQKMT2AL3MBTL1CYP1A2MAPT
SCHEMBL4472728 0.89 PRKCQ (0.47) PRKCQKMT2AL3MBTL1CYP1A2MEN1
SCHEMBL4477310 0.87 PRKCQ (0.48) PRKCQMAPTGSK3AGSK3BLMNA
SCHEMBL4480711 0.86 PRKCQ (0.49) PRKCQKMT2AMAPTPOLBGSK3A
SCHEMBL4475018 0.86 PRKCQ (0.47) PRKCQMAPTGSK3AGSK3BLMNA
SCHEMBL4471874 0.86 PRKCQ (0.45) PRKCQMAPTGSK3AGSK3BLMNA
SCHEMBL4477462 0.85 PRKCQ (0.48) PRKCQKMT2AMEN1MAPTPOLB
SCHEMBL4484412 0.85 PRKCQ (0.47) PRKCQMAPTGSK3AGSK3B
SCHEMBL4478004 0.84 PRKCQ (0.51) PRKCQMAPTPOLBGSK3AGSK3B

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 PRKCQ 2/4885KMT2A 2429/4885L3MBTL1 4151/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885KMT2A 2429/4885L3MBTL1 4151/4885

“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.