Sugi Predict

Sugi Predict / Compounds / SCHEMBL4471361

SCHEMBL4471361

SCHEMBL4471361

CCOc1ncccc1CNc1nc(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 2/20 0.39
▸ JAK3 P52333 1/20 0.36
▸ LMNA P02545 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PRKCQ Q04759 7/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ BLM P54132 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ MAP4K4 O95819 2/20 0.33
▸ CDK1 P06493 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ PIM1 P11309 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ CSNK1D P48730 2/20 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
SCHEMBL4489104 0.92 MAPT (0.39) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL4481714 0.91 JAK3 (0.38) MAPTJAK3LMNAALDH1A1SMN1; SMN2
SCHEMBL4491899 0.90 PRKCQ (0.37) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL4484345 0.88 SMN1; SMN2 (0.39) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL4483276 0.87 MAPT (0.39) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL4482733 0.84 MAPT (0.37) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL4486968 0.83 PRKCQ (0.38) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL4489265 0.83 SMN1; SMN2 (0.40) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL4484863 0.83 PRKCQ (0.47) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL4481037 0.82 MAPT (0.42) MAPTLMNAALDH1A1SMN1; SMN2KMT2A

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 3483/4885JAK3 524/4885LMNA 2186/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH MAPT 3483/4885JAK3 524/4885LMNA 2186/4885

“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.