SCHEMBL4475018

SCHEMBL4475018

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 5/20 0.47
EPHX2 P34913 4/20 0.38
MAPT P10636 4/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
DCPS Q96C86 1/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2J2 P51589 2/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
ADRA2A P08913 1/20 0.33
NPY5R Q15761 1/20 0.33
MCHR1 Q99705 1/20 0.33
GAA P10253 1/20 0.33
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
NR1I2 O75469 1/20 0.33
AHR P35869 1/20 0.33

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
SCHEMBL4477310 0.91 PRKCQ (0.48) PRKCQEPHX2MAPTHDAC3HDAC1
SCHEMBL4480711 0.90 PRKCQ (0.49) PRKCQEPHX2MAPTHDAC3HDAC1
SCHEMBL4479734 0.90 PRKCQ (0.48) PRKCQEPHX2MAPTLMNAHPGD
SCHEMBL4472728 0.89 PRKCQ (0.47) PRKCQEPHX2MAPTHDAC3HDAC1
SCHEMBL4472436 0.88 PRKCQ (0.46) PRKCQEPHX2MAPTHDAC3HDAC1
SCHEMBL4477462 0.88 PRKCQ (0.48) PRKCQEPHX2MAPTHDAC3HDAC1
SCHEMBL4478004 0.88 PRKCQ (0.51) PRKCQEPHX2MAPTHDAC3HDAC1
SCHEMBL3813270 0.88 PRKCQ (0.60) PRKCQMAPTHDAC3HDAC1HDAC2
SCHEMBL18280736 0.88 PRKCQ (0.60) PRKCQMAPTHDAC3HDAC1HDAC2
SCHEMBL4479578 0.88 PRKCQ (0.51) PRKCQEPHX2MAPTHDAC3HDAC1

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 2/4885EPHX2 861/4885MAPT 3483/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885EPHX2 861/4885MAPT 3483/4885

“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.