SCHEMBL4482708

SCHEMBL4482708

Nc1nc(NCc2ccccc2OC(F)(F)F)nc(C[C@H]2CC[C@H](N3CCC(F)C3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 4/20 0.46
DCPS Q96C86 1/20 0.36
EPHX2 P34913 4/20 0.36
CYP2C9 P11712 3/20 0.34
CYP2J2 P51589 3/20 0.34
MAPT P10636 4/20 0.34
LMNA P02545 6/20 0.34
ALDH1A1 P00352 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL4477138 0.95 PRKCQ (0.47) PRKCQDCPSEPHX2CYP2C9CYP2J2
SCHEMBL4465037 0.92 PRKCQ (0.48) PRKCQDCPSEPHX2CYP2C9CYP2J2
SCHEMBL4485509 0.91 PRKCQ (0.47) PRKCQDCPSEPHX2CYP2C9CYP2J2
SCHEMBL4483051 0.91 PRKCQ (0.43) PRKCQDCPSEPHX2CYP2C9CYP2J2
SCHEMBL4468399 0.90 PRKCQ (0.43) PRKCQDCPSEPHX2CYP2C9CYP2J2
SCHEMBL5999683 0.89 PRKCQ (0.46) PRKCQDCPSEPHX2CYP2C9CYP2J2
SCHEMBL4492815 0.89 PRKCQ (0.46) PRKCQDCPSEPHX2CYP2C9CYP2J2
SCHEMBL4476930 0.89 PRKCQ (0.46) PRKCQDCPSEPHX2MAPTLMNA
SCHEMBL4479060 0.89 PRKCQ (0.45) PRKCQDCPSEPHX2CYP2C9CYP2J2
SCHEMBL4479794 0.87 PRKCQ (0.44) PRKCQDCPSEPHX2CYP2C9CYP2J2

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 2 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-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 (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-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885DCPS 587/4885EPHX2 861/4885

“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.