SCHEMBL4489104

SCHEMBL4489104

COc1ncccc1CNc1nc(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 7/20 0.39
PRKCQ Q04759 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 4/20 0.37
HPGD P15428 1/20 0.37
PKM P14618 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
NR1I2 O75469 1/20 0.36
AHR P35869 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 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
SCHEMBL4471361 0.92 MAPT (0.39) MAPTPRKCQSMN1; SMN2MAPK1BLM
SCHEMBL4481714 0.91 JAK3 (0.38) MAPTPRKCQSMN1; SMN2LMNAHPGD
SCHEMBL4491899 0.89 PRKCQ (0.37) MAPTPRKCQSMN1; SMN2LMNAHPGD
SCHEMBL4486381 0.88 MAPT (0.39) MAPTPRKCQNPSR1SMN1; SMN2MAPK1
SCHEMBL4484345 0.88 SMN1; SMN2 (0.39) MAPTPRKCQSMN1; SMN2MAPK1LMNA
SCHEMBL4483276 0.87 MAPT (0.39) MAPTPRKCQSMN1; SMN2MAPK1LMNA
SCHEMBL4481037 0.87 MAPT (0.42) MAPTPRKCQNPSR1SMN1; SMN2MAPK1
SCHEMBL4475849 0.86 PRKCQ (0.49) MAPTPRKCQNPSR1SMN1; SMN2MAPK1
SCHEMBL4482733 0.85 MAPT (0.37) MAPTPRKCQSMN1; SMN2MAPK1L3MBTL1
SCHEMBL4477323 0.84 CYP1A2 (0.37) MAPTPRKCQNPSR1SMN1; SMN2MAPK1

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 2/4885NPSR1 2860/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH MAPT 3483/4885PRKCQ 2/4885NPSR1 2860/4885

“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.