Sugi Predict

Sugi Predict / Compounds / SCHEMBL4478867

SCHEMBL4478867

SCHEMBL4478867

Nc1nc(NCc2ccccc2OC(F)(F)F)nc(C[C@H]2CC[C@H](N(Cc3ccccn3)Cc3ccccn3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 6/20 0.46
▸ MGMT P16455 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ EPHX2 P34913 3/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2J2 P51589 2/20 0.34
▸ DCPS Q96C86 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ GPR39 O43194 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ NPY5R Q15761 1/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL4487627 0.90 PRKCQ (0.46) PRKCQHDAC3HDAC1HDAC2HDAC6
SCHEMBL5999806 0.88 PRKCQ (0.48) PRKCQHDAC3HDAC1HDAC2HDAC6
SCHEMBL4491874 0.88 PRKCQ (0.48) PRKCQHDAC3HDAC1HDAC2HDAC6
SCHEMBL4479817 0.86 PRKCQ (0.49) PRKCQHDAC3HDAC1HDAC2HDAC6
SCHEMBL4478004 0.84 PRKCQ (0.51) PRKCQHDAC3HDAC1HDAC2HDAC6
SCHEMBL18280736 0.84 PRKCQ (0.60) PRKCQHDAC3HDAC1HDAC2HDAC6
SCHEMBL3813270 0.84 PRKCQ (0.60) PRKCQHDAC3HDAC1HDAC2HDAC6
SCHEMBL4479578 0.84 PRKCQ (0.51) PRKCQHDAC3HDAC1HDAC2HDAC6
SCHEMBL4475838 0.84 PRKCQ (0.51) PRKCQHDAC3HDAC1HDAC2HDAC6
SCHEMBL4480711 0.82 PRKCQ (0.49) PRKCQHDAC3HDAC1HDAC2HDAC6

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 5 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
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 2/4885MGMT 3861/4885HDAC3 4242/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885MGMT 3861/4885HDAC3 4242/4885

“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.