Sugi Predict

Sugi Predict / Compounds / SCHEMBL4482733

SCHEMBL4482733

SCHEMBL4482733

Nc1nc(NCc2cccc3ncccc23)nc(C[C@H]2CC[C@H](N)CC2)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.37
▸ NPY1R P25929 1/20 0.37
▸ NPY5R Q15761 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ DHFR P00374 1/20 0.35
▸ LMNA P02545 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ PRKCQ Q04759 6/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ DCLK1 O15075 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ PRKACA P17612 1/20 0.34
▸ CDK2 P24941 1/20 0.34

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
SCHEMBL4470722 0.94 NPY1R (0.43) MAPTNPY1RNPY5RPOLBLMNA
SCHEMBL4490150 0.89 MAPT (0.42) MAPTNPY1RNPY5RPOLBLMNA
SCHEMBL4483276 0.88 MAPT (0.39) MAPTPOLBLMNAALDH1A1SMN1; SMN2
SCHEMBL4484345 0.87 SMN1; SMN2 (0.39) MAPTPOLBLMNAALDH1A1SMN1; SMN2
SCHEMBL4489104 0.85 MAPT (0.39) MAPTPOLBLMNAALDH1A1SMN1; SMN2
SCHEMBL4486968 0.85 PRKCQ (0.38) MAPTPOLBLMNAALDH1A1SMN1; SMN2
SCHEMBL4471361 0.84 MAPT (0.39) MAPTPOLBLMNAALDH1A1SMN1; SMN2
SCHEMBL4481714 0.83 JAK3 (0.38) MAPTPOLBLMNAALDH1A1SMN1; SMN2
SCHEMBL4491899 0.83 PRKCQ (0.37) MAPTPOLBLMNAALDH1A1SMN1; SMN2
SCHEMBL4477805 0.83 PRKCQ (0.49) MAPTPOLBLMNAALDH1A1SMN1; SMN2

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 3483/4885NPY1R 508/4885NPY5R 781/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH MAPT 3483/4885NPY1R 508/4885NPY5R 781/4885

“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.