Sugi Predict

Sugi Predict / Compounds / SCHEMBL4477217

SCHEMBL4477217

SCHEMBL4477217

Nc1ccccc1Sc1ccccc1CNc1nc(N)c([N+](=O)[O-])c(C[C@H]2CC[C@H](N)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.39
▸ PRKCQ Q04759 5/20 0.39
▸ GSK3A P49840 3/20 0.39
▸ GSK3B P49841 3/20 0.39
▸ CDK5 Q00535 3/20 0.39
▸ MAP4K4 O95819 2/20 0.39
▸ CDK1 P06493 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ PIM1 P11309 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CSNK1D P48730 2/20 0.39
▸ CLK2 P49760 2/20 0.39
▸ IRAK1 P51617 2/20 0.39
▸ RPS6KA3 P51812 2/20 0.39
▸ PRKCD Q05655 2/20 0.39
▸ PRKAA1 Q13131 2/20 0.39
▸ STK3 Q13188 2/20 0.39
▸ CAMK2B Q13554 2/20 0.39

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
SCHEMBL4477890 0.88 PRKCQ (0.52) MAPTPRKCQGSK3AGSK3BCDK5
SCHEMBL4484863 0.84 PRKCQ (0.47) MAPTPRKCQMAPK1SMN1; SMN2POLB
SCHEMBL4475219 0.84 PRKCQ (0.47) MAPTPRKCQGSK3AGSK3BCDK5
SCHEMBL4477250 0.84 PRKCQ (0.48) MAPTPRKCQGSK3AGSK3BCDK5
SCHEMBL4490150 0.83 MAPT (0.42) MAPTPRKCQGSK3AGSK3BCDK5
SCHEMBL4480049 0.83 MAPT (0.41) MAPTPRKCQGSK3AGSK3BCDK5
SCHEMBL4475566 0.82 MAPT (0.60) MAPTPRKCQMAPK1SMN1; SMN2POLB
SCHEMBL4475849 0.82 PRKCQ (0.49) MAPTPRKCQGSK3AGSK3BCDK5
SCHEMBL3813027 0.82 PRKCQ (0.58) MAPTPRKCQGSK3AGSK3BCDK5
SCHEMBL4478004 0.81 PRKCQ (0.51) MAPTPRKCQGSK3AGSK3BCDK5

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 MAPT 3483/4885PRKCQ 2/4885GSK3A 68/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH MAPT 3483/4885PRKCQ 2/4885GSK3A 68/4885

“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.