SCHEMBL4468391

SCHEMBL4468391

Nc1nc(NCc2cccc(Br)c2)nc(C[C@H]2CC[C@H](N)CC2)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
APP P05067 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
BLM P54132 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
PRKCQ Q04759 3/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 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
SCHEMBL4490167 0.89 KMT2A (0.53) MAPTAPPL3MBTL1KMT2ACYP1A2
SCHEMBL4490590 0.89 PRKCQ (0.49) MAPTAPPL3MBTL1KMT2ACYP1A2
SCHEMBL4478175 0.89 MAPT (0.51) MAPTL3MBTL1KMT2ACYP1A2POLB
SCHEMBL4475566 0.88 MAPT (0.60) MAPTL3MBTL1KMT2ACYP1A2POLB
SCHEMBL4476078 0.87 LMNA (0.46) MAPTL3MBTL1KMT2ACYP1A2POLB
SCHEMBL4477953 0.87 MAPT (0.39) MAPTL3MBTL1KMT2ACYP1A2POLB
SCHEMBL4485111 0.86 MAPT (0.44) MAPTL3MBTL1KMT2ACYP1A2POLB
SCHEMBL4484640 0.85 LMNA (0.44) MAPTL3MBTL1KMT2ACYP1A2POLB
SCHEMBL4479093 0.84 PRKCQ (0.46) MAPTL3MBTL1KMT2ACYP1A2POLB
SCHEMBL4470147 0.84 CCNT1 (0.45) MAPTL3MBTL1KMT2ACYP1A2POLB

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 MAPT 3483/4885APP 1211/4885L3MBTL1 4151/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH MAPT 3483/4885APP 1211/4885L3MBTL1 4151/4885

“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.