SCHEMBL4476078

SCHEMBL4476078

CNc1cccc(CNc2nc(N)c([N+](=O)[O-])c(C[C@H]3CC[C@H](N)CC3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 10/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
KMT2A Q03164 2/20 0.45
BLM P54132 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP1A2 P05177 2/20 0.45
MAPK1 P28482 2/20 0.44
MEN1 O00255 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.41
PRKCQ Q04759 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL4478175 0.89 MAPT (0.51) LMNAHPGDMAPTL3MBTL1NPSR1
SCHEMBL4490167 0.87 KMT2A (0.53) LMNAHPGDMAPTL3MBTL1KMT2A
SCHEMBL4490590 0.87 PRKCQ (0.49) LMNAHPGDMAPTL3MBTL1NPSR1
SCHEMBL4468391 0.87 MAPT (0.46) LMNAHPGDMAPTL3MBTL1NPSR1
SCHEMBL4475566 0.86 MAPT (0.60) LMNAHPGDMAPTL3MBTL1NPSR1
SCHEMBL4485111 0.86 MAPT (0.44) LMNAHPGDMAPTL3MBTL1NPSR1
SCHEMBL4484640 0.83 LMNA (0.44) LMNAHPGDMAPTL3MBTL1NPSR1
SCHEMBL4470147 0.82 CCNT1 (0.45) LMNAHPGDMAPTL3MBTL1NPSR1
SCHEMBL4483008 0.82 LMNA (0.45) LMNAMAPTL3MBTL1NPSR1KMT2A
SCHEMBL4491859 0.82 LMNA (0.45) LMNAMAPTL3MBTL1NPSR1KMT2A

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 4 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
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 (1 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-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH LMNA 2186/4885HPGD 1331/4885MAPT 3483/4885

“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.