Sugi Predict

Sugi Predict / Compounds / SCHEMBL4485509

SCHEMBL4485509

SCHEMBL4485509

Nc1nc(NCc2ccccc2OC(F)(F)F)nc(C[C@H]2CC[C@H](N3CC(N)C3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 4/20 0.47
▸ DCPS Q96C86 1/20 0.36
▸ MAPT P10636 4/20 0.35
▸ EPHX2 P34913 3/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ DPP4 P27487 1/20 0.34
▸ LMNA P02545 4/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2J2 P51589 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ADRA2A P08913 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 0.94 PRKCQ (0.47) PRKCQDCPSMAPTEPHX2HDAC3
SCHEMBL4465037 0.91 PRKCQ (0.48) PRKCQDCPSMAPTEPHX2HDAC3
SCHEMBL4478004 0.91 PRKCQ (0.51) PRKCQDCPSMAPTEPHX2HDAC3
SCHEMBL4475838 0.91 PRKCQ (0.51) PRKCQDCPSMAPTEPHX2HDAC3
SCHEMBL4479578 0.91 PRKCQ (0.51) PRKCQDCPSMAPTEPHX2HDAC3
SCHEMBL4482708 0.91 PRKCQ (0.46) PRKCQDCPSMAPTEPHX2HDAC3
SCHEMBL4476930 0.89 PRKCQ (0.46) PRKCQDCPSMAPTEPHX2LMNA
SCHEMBL5999683 0.89 PRKCQ (0.46) PRKCQDCPSMAPTEPHX2HDAC3
SCHEMBL4492815 0.89 PRKCQ (0.46) PRKCQDCPSMAPTEPHX2HDAC3
SCHEMBL4479060 0.89 PRKCQ (0.45) PRKCQDCPSMAPTEPHX2HDAC3

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 7 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 claimed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 — — US claimed
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 2/4885DCPS 587/4885MAPT 3483/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885DCPS 587/4885MAPT 3483/4885

“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.