SCHEMBL4471148

SCHEMBL4471148

Nc1nc(NCc2cccc(F)c2F)nc(C[C@H]2CC[C@H](N)CC2)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 4/20 0.49
MAPT P10636 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ATM Q13315 1/20 0.39
CYP1A2 P05177 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 3/20 0.38
MGMT P16455 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
PKM P14618 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 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
SCHEMBL3821000 0.93 PRKCQ (0.57) PRKCQMAPTGSK3AGSK3B
SCHEMBL4475219 0.92 PRKCQ (0.47) PRKCQMAPTKMT2AMEN1ATM
SCHEMBL4475836 0.92 PRKCQ (0.40) PRKCQMAPTKMT2AMEN1ATM
SCHEMBL4479981 0.89 PRKCQ (0.42) PRKCQMAPTKMT2AMEN1CYP1A2
SCHEMBL4479907 0.87 PRKCQ (0.50) PRKCQMAPTKMT2AMEN1ATM
SCHEMBL4490150 0.86 MAPT (0.42) PRKCQMAPTKMT2AMEN1ATM
SCHEMBL4477805 0.85 PRKCQ (0.49) PRKCQMAPTKMT2AMEN1L3MBTL1
SCHEMBL4477250 0.85 PRKCQ (0.48) PRKCQMAPTL3MBTL1POLBLMNA
SCHEMBL3817776 0.85 PRKCQ (0.56) PRKCQMAPTKMT2AMEN1ATM
SCHEMBL4484863 0.85 PRKCQ (0.47) PRKCQMAPTKMT2AL3MBTL1POLB

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 PRKCQ 2/4885MAPT 3483/4885KMT2A 2429/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885MAPT 3483/4885KMT2A 2429/4885

“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.