Sugi Predict

Sugi Predict / Compounds / SCHEMBL4471874

SCHEMBL4471874

SCHEMBL4471874

Cn1cc(CN[C@H]2CC[C@H](Cc3nc(NCc4ccccc4OC(F)(F)F)nc(N)c3[N+](=O)[O-])CC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 4/20 0.45
▸ NTRK1 P04629 1/20 0.34
▸ EPHX2 P34913 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ LMNA P02545 3/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ DCPS Q96C86 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ GSK3A P49840 2/20 0.32
▸ GSK3B P49841 2/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL4479734 0.90 PRKCQ (0.48) PRKCQEPHX2MAPTLMNAHPGD
SCHEMBL4472436 0.88 PRKCQ (0.46) PRKCQEPHX2MAPTLMNAHPGD
SCHEMBL4472726 0.88 PRKCQ (0.44) PRKCQNTRK1EPHX2MAPTLMNA
SCHEMBL4477353 0.88 PRKCQ (0.44) PRKCQEPHX2MAPTLMNAHPGD
SCHEMBL4476723 0.88 PRKCQ (0.44) PRKCQEPHX2MAPTLMNAHPGD
SCHEMBL4477310 0.87 PRKCQ (0.48) PRKCQEPHX2MAPTLMNAHPGD
SCHEMBL4472728 0.86 PRKCQ (0.47) PRKCQEPHX2MAPTHDAC3HDAC1
SCHEMBL4475471 0.86 PRKCQ (0.44) PRKCQMAPTLMNAHPGDSMN1; SMN2
SCHEMBL4480711 0.85 PRKCQ (0.49) PRKCQEPHX2MAPTLMNAHPGD
SCHEMBL4484412 0.85 PRKCQ (0.47) PRKCQEPHX2MAPTHDAC3HDAC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885NTRK1 4342/4885EPHX2 861/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885NTRK1 4342/4885EPHX2 861/4885

“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.