SCHEMBL4479060

SCHEMBL4479060

Nc1nc(NCc2ccccc2OC(F)(F)F)nc(C[C@H]2CC[C@H](N3CCS(=O)(=O)CC3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 4/20 0.45
EPHX2 P34913 4/20 0.37
DCPS Q96C86 1/20 0.36
MAPT P10636 3/20 0.35
CYP2C9 P11712 2/20 0.34
CYP2J2 P51589 2/20 0.34
LMNA P02545 3/20 0.34
MAPK1 P28482 1/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL4465037 0.92 PRKCQ (0.48) PRKCQEPHX2DCPSMAPTCYP2C9
SCHEMBL4492815 0.92 PRKCQ (0.46) PRKCQEPHX2DCPSMAPTCYP2C9
SCHEMBL5999683 0.92 PRKCQ (0.46) PRKCQEPHX2DCPSMAPTCYP2C9
SCHEMBL4476930 0.90 PRKCQ (0.46) PRKCQEPHX2DCPSMAPTLMNA
SCHEMBL4482903 0.89 PRKCQ (0.44) PRKCQEPHX2DCPSMAPTCYP2C9
SCHEMBL4482708 0.89 PRKCQ (0.46) PRKCQEPHX2DCPSMAPTCYP2C9
SCHEMBL4477138 0.89 PRKCQ (0.47) PRKCQEPHX2DCPSMAPTCYP2C9
SCHEMBL4485509 0.89 PRKCQ (0.47) PRKCQEPHX2DCPSMAPTCYP2C9
SCHEMBL4479794 0.88 PRKCQ (0.44) PRKCQEPHX2DCPSMAPTCYP2C9
SCHEMBL4481034 0.88 PRKCQ (0.44) PRKCQEPHX2DCPSCYP2C9CYP2J2

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

“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.