SCHEMBL4481034

SCHEMBL4481034

CC(=O)N1CCN([C@H]2CC[C@H](Cc3nc(NCc4ccccc4OC(F)(F)F)nc(N)c3[N+](=O)[O-])CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.44
SLC6A4 P31645 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
EPHX2 P34913 7/20 0.39
CYP2C9 P11712 3/20 0.38
CYP2J2 P51589 3/20 0.38
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
IGF1R P08069 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MGLL Q99685 1/20 0.35
CDK1 P06493 2/20 0.35
CDK4 P11802 2/20 0.35
CCND1 P24385 2/20 0.35
CDK2 P24941 2/20 0.35
DCPS Q96C86 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL4479611 0.97 SLC6A4 (0.43) PRKCQSLC6A4HRH3EPHX2CYP2C9
SCHEMBL4492815 0.92 PRKCQ (0.46) PRKCQSLC6A4HRH3EPHX2CYP2C9
SCHEMBL5999683 0.92 PRKCQ (0.46) PRKCQSLC6A4HRH3EPHX2CYP2C9
SCHEMBL4465037 0.91 PRKCQ (0.48) PRKCQSLC6A4HRH3EPHX2CYP2C9
SCHEMBL4478816 0.89 PRKCQ (0.44) PRKCQSLC6A4HRH3EPHX2CYP2C9
SCHEMBL4482903 0.89 PRKCQ (0.44) PRKCQSLC6A4HRH3EPHX2CYP2C9
SCHEMBL4476930 0.89 PRKCQ (0.46) PRKCQEPHX2DCPSALDH1A1LMNA
SCHEMBL4479060 0.88 PRKCQ (0.45) PRKCQEPHX2CYP2C9CYP2J2HDAC3
SCHEMBL4482708 0.87 PRKCQ (0.46) PRKCQEPHX2CYP2C9CYP2J2HDAC3
SCHEMBL4485509 0.87 PRKCQ (0.47) PRKCQEPHX2CYP2C9CYP2J2HDAC3

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 2/4885SLC6A4 4743/4885HRH3 846/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885SLC6A4 4743/4885HRH3 846/4885

“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.