Sugi Predict

Sugi Predict / Compounds / SCHEMBL4489771

SCHEMBL4489771

SCHEMBL4489771

Cc1cc(CN[C@H]2CC[C@H](Cc3nc(NCc4ccccc4OC(F)(F)F)nc(N)c3[N+](=O)[O-])CC2)n(C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 3/20 0.42
▸ EPHX2 P34913 2/20 0.35
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ DCPS Q96C86 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ADRA2A P08913 2/20 0.32
▸ MCHR1 Q99705 2/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ NPY5R Q15761 1/20 0.31
▸ GSK3A P49840 2/20 0.31
▸ GSK3B P49841 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ NR1I2 O75469 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
SCHEMBL4472726 0.87 PRKCQ (0.44) PRKCQEPHX2MAPTDCPSSMN1; SMN2
SCHEMBL4477353 0.87 PRKCQ (0.44) PRKCQEPHX2MAPTDCPSSMN1; SMN2
SCHEMBL4477310 0.86 PRKCQ (0.48) PRKCQEPHX2MAPTDCPSSMN1; SMN2
SCHEMBL4479734 0.85 PRKCQ (0.48) PRKCQEPHX2MAPTSMN1; SMN2LMNA
SCHEMBL4476723 0.85 PRKCQ (0.44) PRKCQEPHX2MAPTDCPSLMNA
SCHEMBL4472728 0.85 PRKCQ (0.47) PRKCQEPHX2MAPTDCPSADRA2A
SCHEMBL4471874 0.85 PRKCQ (0.45) PRKCQEPHX2MAPTDCPSSMN1; SMN2
SCHEMBL4472436 0.84 PRKCQ (0.46) PRKCQEPHX2ADORA2AADORA2BADORA1
SCHEMBL4480711 0.84 PRKCQ (0.49) PRKCQEPHX2MAPTDCPSLMNA
SCHEMBL4475018 0.83 PRKCQ (0.47) PRKCQEPHX2MAPTDCPSADRA2A

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 2/4885EPHX2 861/4885ADORA2A 599/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885EPHX2 861/4885ADORA2A 599/4885

“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.