Sugi Predict

Sugi Predict / Compounds / SCHEMBL4483276

SCHEMBL4483276

SCHEMBL4483276

Nc1nc(NCc2cccnc2Cl)nc(C[C@H]2CC[C@H](N)CC2)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.39
▸ PRKCQ Q04759 6/20 0.39
▸ GSK3A P49840 2/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ DCLK1 O15075 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ MATK P42679 1/20 0.39
▸ FRK P42685 1/20 0.39
▸ CSNK1D P48730 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ IRAK1 P51617 1/20 0.39
▸ RPS6KA3 P51812 1/20 0.39
▸ CDK5 Q00535 1/20 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
SCHEMBL4484345 0.90 SMN1; SMN2 (0.39) MAPTPRKCQGSK3AGSK3BCYP3A4
SCHEMBL4479923 0.89 MAPT (0.39) MAPTPRKCQGSK3AGSK3BCYP3A4
SCHEMBL4477250 0.89 PRKCQ (0.48) MAPTPRKCQGSK3AGSK3BCYP3A4
SCHEMBL4482733 0.88 MAPT (0.37) MAPTPRKCQGSK3AGSK3BCYP3A4
SCHEMBL4489104 0.87 MAPT (0.39) MAPTPRKCQGSK3AGSK3BCDK5
SCHEMBL4486968 0.87 PRKCQ (0.38) MAPTPRKCQGSK3AGSK3BCYP3A4
SCHEMBL4471361 0.87 MAPT (0.39) MAPTPRKCQGSK3AGSK3BCYP3A4
SCHEMBL4475836 0.86 PRKCQ (0.40) MAPTPRKCQGSK3AGSK3BCYP3A4
SCHEMBL4481714 0.86 JAK3 (0.38) MAPTPRKCQGSK3AGSK3BCYP3A4
SCHEMBL4479124 0.85 PRKCQ (0.50) MAPTPRKCQGSK3AGSK3BCYP3A4

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 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.