Sugi Predict

Sugi Predict / Compounds / SCHEMBL4474922

SCHEMBL4474922

SCHEMBL4474922

Nc1nc(NCc2cnccc2C(F)(F)F)nc(C[C@H]2CC[C@H](N3CCC3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 3/20 0.37
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ GSK3A P49840 4/20 0.35
▸ GSK3B P49841 4/20 0.35
▸ BLM P54132 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ ALDH1A1 P00352 6/20 0.34
▸ LMNA P02545 5/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 4/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ PRKCD Q05655 2/20 0.34
▸ HTT P42858 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
SCHEMBL4477995 0.88 PRKCQ (0.40) PRKCQGSK3AGSK3BALDH1A1LMNA
SCHEMBL4484917 0.88 MAPT (0.38) PRKCQKMT2AMEN1GSK3AGSK3B
SCHEMBL4489990 0.82 ALDH1A1 (0.34) PRKCQKMT2AMEN1GSK3AGSK3B
SCHEMBL4465037 0.81 PRKCQ (0.48) PRKCQKMT2AMEN1GSK3AGSK3B
SCHEMBL4479707 0.81 PRKCQ (0.35) PRKCQALDH1A1LMNASMN1; SMN2PRKCD
SCHEMBL5999051 0.81 PRKCQ (0.35) PRKCQALDH1A1LMNASMN1; SMN2PRKCD
SCHEMBL4486381 0.78 MAPT (0.39) PRKCQKMT2AMEN1BLMATM
SCHEMBL3814212 0.77 PRKCQ (0.58) PRKCQGSK3AGSK3BCDK5LMNA
SCHEMBL13671859 0.77 PRKCQ (0.62) PRKCQGSK3AGSK3BCDK5PRKCD
SCHEMBL4482903 0.77 PRKCQ (0.44) PRKCQKMT2AMEN1ALDH1A1LMNA

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 2/4885KMT2A 2429/4885MEN1 4217/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885KMT2A 2429/4885MEN1 4217/4885

“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.