SCHEMBL4475649

SCHEMBL4475649

CN(C)c1ccc(CNc2nc(N)c([N+](=O)[O-])c(C[C@H]3CC[C@H](N)CC3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 8/20 0.44
LMNA P02545 4/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 2/20 0.41
PKM P14618 1/20 0.41
POLB P06746 1/20 0.40
MCL1 Q07820 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
BLM P54132 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL3820314 0.92 SMN1; SMN2 (0.45) SMN1; SMN2MAPTLMNAHTTALDH1A1
SCHEMBL4485111 0.89 MAPT (0.44) SMN1; SMN2MAPTLMNAHTTALDH1A1
SCHEMBL4475566 0.87 MAPT (0.60) SMN1; SMN2MAPTLMNAHTTALDH1A1
SCHEMBL4473465 0.86 MAPT (0.47) SMN1; SMN2MAPTLMNAHTTALDH1A1
SCHEMBL4479917 0.86 PRKCQ (0.39) SMN1; SMN2MAPTLMNAHTTALDH1A1
SCHEMBL4483078 0.84 SMN1; SMN2 (0.44) SMN1; SMN2MAPTLMNAHTTALDH1A1
SCHEMBL4480049 0.84 MAPT (0.41) SMN1; SMN2MAPTLMNAHTTALDH1A1
SCHEMBL4479339 0.83 MAPT (0.42) SMN1; SMN2MAPTLMNAHTTHPGD
SCHEMBL4478175 0.82 MAPT (0.51) SMN1; SMN2MAPTLMNAALDH1A1HPGD
SCHEMBL4479093 0.81 PRKCQ (0.46) SMN1; SMN2MAPTLMNAALDH1A1HPGD

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 5 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
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 SMN1; SMN2 3820/4885MAPT 3483/4885LMNA 2186/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH SMN1; SMN2 3820/4885MAPT 3483/4885LMNA 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.