SCHEMBL4476930

SCHEMBL4476930

Nc1nc(NCc2ccccc2OC(F)(F)F)nc(C[C@H]2CC[C@H](N3CCOCC3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.46
LMNA P02545 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 6/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 3/20 0.39
HTT P42858 2/20 0.39
POLB P06746 3/20 0.39
GSK3A P49840 3/20 0.38
GSK3B P49841 3/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
DCPS Q96C86 1/20 0.36
EPHX2 P34913 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL4465037 0.93 PRKCQ (0.48) PRKCQLMNAMAPTALDH1A1MAPK1
SCHEMBL5999683 0.91 PRKCQ (0.46) PRKCQLMNAMAPTALDH1A1HTT
SCHEMBL4492815 0.91 PRKCQ (0.46) PRKCQLMNAMAPTALDH1A1HTT
SCHEMBL4479060 0.90 PRKCQ (0.45) PRKCQLMNAKDM4EMAPTALDH1A1
SCHEMBL4482708 0.89 PRKCQ (0.46) PRKCQLMNAMAPTALDH1A1KMT2A
SCHEMBL4485509 0.89 PRKCQ (0.47) PRKCQLMNAMAPTALDH1A1MAPK1
SCHEMBL4477138 0.89 PRKCQ (0.47) PRKCQLMNAMAPTALDH1A1MAPK1
SCHEMBL4479794 0.89 PRKCQ (0.44) PRKCQLMNAMAPTALDH1A1MAPK1
SCHEMBL4481034 0.89 PRKCQ (0.44) PRKCQLMNAALDH1A1GSK3AGSK3B
SCHEMBL4478816 0.88 PRKCQ (0.44) PRKCQLMNAMAPTALDH1A1GSK3A

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 2/4885LMNA 2186/4885KDM4E 2269/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885LMNA 2186/4885KDM4E 2269/4885

“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.