Sugi Predict

Sugi Predict / Compounds / SCHEMBL4479817

SCHEMBL4479817

SCHEMBL4479817

CN(C)[C@H]1CC[C@H](Cc2nc(NCc3ccccc3OC(F)(F)F)nc(N)c2[N+](=O)[O-])CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 4/20 0.49
▸ MAPT P10636 6/20 0.37
▸ POLB P06746 1/20 0.37
▸ RAD52 P43351 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ EPHX2 P34913 2/20 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
▸ GSK3A P49840 2/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ AHR P35869 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36

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
SCHEMBL4491874 0.92 PRKCQ (0.48) PRKCQMAPTPOLBRAD52BLM
SCHEMBL5999806 0.92 PRKCQ (0.48) PRKCQMAPTPOLBRAD52BLM
SCHEMBL4479578 0.90 PRKCQ (0.51) PRKCQMAPTPOLBLMNAHPGD
SCHEMBL18280736 0.90 PRKCQ (0.60) PRKCQMAPTHDAC3HDAC1HDAC2
SCHEMBL4475838 0.90 PRKCQ (0.51) PRKCQMAPTPOLBLMNAHPGD
SCHEMBL4478004 0.90 PRKCQ (0.51) PRKCQMAPTPOLBLMNAHPGD
SCHEMBL3813270 0.90 PRKCQ (0.60) PRKCQMAPTHDAC3HDAC1HDAC2
SCHEMBL4483051 0.90 PRKCQ (0.43) PRKCQMAPTPOLBRAD52BLM
SCHEMBL4487627 0.89 PRKCQ (0.46) PRKCQMAPTPOLBBLMKMT2A
SCHEMBL4477310 0.88 PRKCQ (0.48) PRKCQMAPTLMNAHPGDEPHX2

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 2/4885MAPT 3483/4885POLB 205/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885MAPT 3483/4885POLB 205/4885

“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.