SCHEMBL4485111

SCHEMBL4485111

CN(C)c1cccc(CNc2nc(N)c([N+](=O)[O-])c(C[C@H]3CC[C@H](N)CC3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
MAPK1 P28482 3/20 0.43
LMNA P02545 5/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
KMT2A Q03164 2/20 0.41
BLM P54132 2/20 0.41
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
PRKCQ Q04759 2/20 0.38
KDM4E B2RXH2 1/20 0.36
NOS1 P29475 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
SCHEMBL4475649 0.89 SMN1; SMN2 (0.45) MAPTMAPK1LMNAALDH1A1HTT
SCHEMBL4478175 0.88 MAPT (0.51) MAPTMAPK1LMNAALDH1A1SMN1; SMN2
SCHEMBL4476078 0.86 LMNA (0.46) MAPTMAPK1LMNASMN1; SMN2HPGD
SCHEMBL4490590 0.86 PRKCQ (0.49) MAPTMAPK1LMNASMN1; SMN2HPGD
SCHEMBL4490167 0.86 KMT2A (0.53) MAPTMAPK1LMNASMN1; SMN2HPGD
SCHEMBL4468391 0.86 MAPT (0.46) MAPTMAPK1LMNASMN1; SMN2HPGD
SCHEMBL4475566 0.86 MAPT (0.60) MAPTMAPK1LMNAALDH1A1HTT
SCHEMBL4479917 0.84 PRKCQ (0.39) MAPTMAPK1LMNAALDH1A1HTT
SCHEMBL4480049 0.83 MAPT (0.41) MAPTMAPK1LMNAALDH1A1HTT
SCHEMBL4484640 0.82 LMNA (0.44) MAPTMAPK1LMNAALDH1A1SMN1; 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 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 3483/4885MAPK1 662/4885LMNA 2186/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH MAPT 3483/4885MAPK1 662/4885LMNA 2186/4885

“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.