SCHEMBL4478175

SCHEMBL4478175

Cc1cccc(CNc2nc(N)c([N+](=O)[O-])c(C[C@H]3CC[C@H](N)CC3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
NPSR1 Q6W5P4 3/20 0.51
BLM P54132 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
PRKCQ Q04759 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
LMNA P02545 4/20 0.44
HPGD P15428 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
MAPK1 P28482 4/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSP90AA1 P07900 2/20 0.42
XBP1 P17861 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.41

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
SCHEMBL3820552 0.93 PRKCQ (0.57) MAPTL3MBTL1NPSR1BLMTDP1
SCHEMBL4476078 0.89 LMNA (0.46) MAPTL3MBTL1NPSR1BLMTDP1
SCHEMBL4490590 0.89 PRKCQ (0.49) MAPTL3MBTL1NPSR1BLMTDP1
SCHEMBL4490167 0.89 KMT2A (0.53) MAPTL3MBTL1BLMTDP1PRKCQ
SCHEMBL4468391 0.89 MAPT (0.46) MAPTL3MBTL1NPSR1BLMTDP1
SCHEMBL4475566 0.88 MAPT (0.60) MAPTL3MBTL1NPSR1BLMTDP1
SCHEMBL4485111 0.88 MAPT (0.44) MAPTL3MBTL1NPSR1BLMTDP1
SCHEMBL4477232 0.87 SMN1; SMN2 (0.42) MAPTL3MBTL1NPSR1BLMTDP1
SCHEMBL4484640 0.85 LMNA (0.44) MAPTL3MBTL1NPSR1TDP1SMN1; SMN2
SCHEMBL3821325 0.84 PRKCQ (0.49) MAPTL3MBTL1NPSR1BLMTDP1

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 3 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
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 3483/4885L3MBTL1 4151/4885NPSR1 2860/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH MAPT 3483/4885L3MBTL1 4151/4885NPSR1 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.