Sugi Predict

Sugi Predict / Compounds / SCHEMBL4490150

SCHEMBL4490150

SCHEMBL4490150

Nc1nc(NCc2cccc3ccccc23)nc(C[C@H]2CC[C@H](N)CC2)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ LMNA P02545 4/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ NPY1R P25929 1/20 0.37
▸ AQP1 P29972 1/20 0.37
▸ NPY2R P49146 1/20 0.37
▸ NPY4R P50391 1/20 0.37
▸ NPY5R Q15761 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ PRKCQ Q04759 2/20 0.36
▸ GSK3A P49840 2/20 0.36

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
SCHEMBL3814020 0.92 PRKCQ (0.44) MAPTPRKCQGSK3AGSK3BCDK5
SCHEMBL3813503 0.89 PRKCQ (0.44) MAPTSMN1; SMN2POLBLMNAMAPK1
SCHEMBL3812494 0.89 PRKCQ (0.44) MAPTSMN1; SMN2POLBLMNAMAPK1
SCHEMBL4482733 0.89 MAPT (0.37) MAPTSMN1; SMN2POLBLMNAMAPK1
SCHEMBL3814996 0.88 MAPT (0.41) MAPTSMN1; SMN2LMNAMAPK1HPGD
SCHEMBL4470722 0.88 NPY1R (0.43) MAPTSMN1; SMN2POLBLMNAMAPK1
SCHEMBL4475219 0.87 PRKCQ (0.47) MAPTSMN1; SMN2POLBLMNAMAPK1
SCHEMBL4477250 0.87 PRKCQ (0.48) MAPTSMN1; SMN2POLBLMNAMAPK1
SCHEMBL4484863 0.87 PRKCQ (0.47) MAPTSMN1; SMN2POLBLMNAMAPK1
SCHEMBL5167029 0.87 MAPT (0.41) MAPTSMN1; SMN2POLBLMNAMAPK1

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 3483/4885SMN1; SMN2 3820/4885POLB 205/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH MAPT 3483/4885SMN1; SMN2 3820/4885POLB 205/4885

“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.